W. Miller

发表

Semiclassical initial value representation for the Boltzmann operator in thermal rate constants

Yi Zhao, W. Miller, 2002 .

An alternate derivation of the Herman—Kluk (coherent state) semiclassical initial value representation of the time evolution operator

W. Miller, 2002 .

Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions

W. Miller, N. Makri, 2002 .

Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions.

Jian Liu, W. Miller, 2006, The Journal of chemical physics.

ON FINDING TRANSITION STATES

W. Miller, C. Cerjan, 1981 .

Reaction path Hamiltonian for polyatomic molecules

John E. Adams, N. Handy, W. Miller, 1980 .

A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method

D. Colbert, W. Miller, 1992 .

Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers

V. Guallar, W. Miller, V. Batista, 1999 .

Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O

William H. Miller, Claude Leforestier, W. Miller, 1994 .

Rigorous formulation of quantum transition state theory and its dynamical corrections

G. Voth, D. Chandler, W. Miller, 1989 .

Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels

W. Miller, A. Kaledin, 2003 .

Luminescence properties of LaF3:Ce nanoparticles encapsulated by oleic acid

S. H. Park, W. Miller, Y. Seo, 2014 .

Semiclassical limit of quantum mechanical transition state theory for nonseparable systems

W. Miller, 1975 .

A classical analog for electronic degrees of freedom in nonadiabatic collision processes

W. Miller, Hans‐Dieter Meyera, 1979 .

Electronically nonadiabatic dynamics via semiclassical initial value methods.

W. Miller, 2009, The journal of physical chemistry. A.

Semiclassical initial value representation for electronically nonadiabatic molecular dynamics

W. Miller, Xiong Sun, 1997 .

A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes.

W. Miller, Stephen J Cotton, 2015, The journal of physical chemistry. A.

Tunneling Corrections to Unimolecular Rate Constants, with Application to Formaldehyde

W. Miller, 1979 .

Perspective: Quantum or classical coherence?

W. Miller, 2012, The Journal of chemical physics.

Coupled Equations and the Minimum Principle for Collisions of an Atom and a Diatomic Molecule, Including Rearrangements

W. Miller, 1969 .

New method for quantum reactive scattering, with applications to the 3-D H+H2 reaction

W. Miller, J. H. Zhang, 1987 .

Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H

W. Miller, J. H. Zhang, 1989 .

Unified statistical model for ’’complex’’ and ’’direct’’ reaction mechanisms

W. Miller, 1976 .

Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

Jian Liu, W. Miller, 2008, The Journal of chemical physics.

A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL

W. Miller, J. Manz, L. Lehr, 1997 .

Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene.

Jirí Vanícek, William H Miller, W. Miller, 2007, The Journal of chemical physics.

Semiclassical calculation of thermal rate constants in full Cartesian space: The benchmark reaction D+H2→DH+H

William H. Miller, Takeshi Yamamoto, W. Miller, 2003 .

Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.

D. Case, Jian Liu, W. Miller, 2009, The Journal of chemical physics.

TWO-PHASE FLOW DYNAMICS BY REAL-TIME NEUTRON IMAGING IN OSCILLATING HEAT PIPE

W. Miller, 2008 .

Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density

William H. Miller, Michael Thoss, Haobin Wang, 2001 .

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

William H Miller, Jian Liu, W. Miller, 2007, The Journal of chemical physics.

Path integral representation of the reaction rate constant in quantum mechanical transition state theory

W. Miller, 1975 .

Semiclassical transition state theory. A new perspective

W. Miller, R. Hernandez, 1993 .

Theories of intramolecular vibrational energy transfer

W. Miller, T. Uzer, T. Uzer, 1991 .

Spin-orbit and diagonal born-oppenheimer corrections for the reaction F + H2 → HF + H

N. Handy, W. Miller, Timothy J. Lee, 1986 .

Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions

W. Miller, 1999 .

Classical Trajectory Studies of the Molecular Dissociation Dynamics of Formaldehyde: H2CO H2 + CO

W. Miller, Yan‐Tyng Chang, C. Minichino, 1992 .

Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels. II. Application to H2CO, NH3, CH4, CH2D2

W. Miller, A. Kaledin, 2003 .

Vinylidene: a very shallow minimum on the C2H2 potential energy surface

H. Schaefer, W. Miller, S. Gray, 1981 .

Application of the semiclassical perturbation approximation to scattering from surfaces. Generalization to include phonon inelasticity

W. Miller, L. M. Hubbard, 1984 .

Tunneling and state specificity in unimolecular reactions

W. Miller, 1987 .

Quantum and semiclassical Green's functions in chemical reaction dynamics

W. Miller, 1997 .

Study of the Statistical Model for Molecular Collisions

W. Miller, 1970 .

On possibility of calculating Siegert eigenvalues for autoionizing electronic states

W. Miller, C. W. McCurdy, A. D. Isaacson, 1978 .

Simple error bound for coupled-channel scattering calculations

W. Miller, 1971 .

“Direct” Calculation of Thermal Rate Constants for the F + H2 → HF + F Reaction

Haobin Wang, W. Miller, W. Thompson, 1998 .

Thermal rate constant calculation using flux–flux autocorrelation functions: Application to Cl+H2→HCl+H reaction

Haobin Wang, W. Miller, W. Thompson, 1997 .

Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase.

R. Friesner, V. Guallar, W. Miller, 2002, Journal of the American Chemical Society.

Proton-transfer dynamics in the activation of cytochrome P450eryF.

V. Guallar, W. Miller, V. Batista, 2002, Journal of the American Chemical Society.

3D quantum scattering calculations of the reaction He + H+2 → HeH+ + H for total angular momentum J = 0

W. Miller, J. H. Zhang, D. Yeager, 1990 .

Semi-classical methods for vibrational energy levels of triatomic molecules

N. Handy, W. Miller, S. M. Colwell, 1977 .

A classical model for time- and frequency-resolved spectroscopy of nonadiabatic excited-state dynamics

W. Miller, G. Stock, 1992 .

Cumulative reaction probabilities for H+H2→H2+H from a knowledge of the anharmonic force field

N. Handy, W. Miller, R. Hernandez, 1992 .

Time‐dependent self‐consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments

Nancy Makri, William H. Miller, W. Miller, 1987 .

PROGRESS IN THE APPLICATION OF CLASSICAL S-MATRIX THEORY TO INELASTIC COLLISION PROCESSES

W. Miller, C. W. McCurdy, 1980 .

Symmetrical windowing for quantum states in quasi-classical trajectory simulations.

Stephen J. Cotton, W. Miller, Stephen J Cotton, 2013, The journal of physical chemistry. A.

Theoretical treatment of quenching in O(1D) + N2 collisions

W. Miller, R. K. Preston, G. Zahr, 1975 .

Mixed semiclassical-classical approaches to the dynamics of complex molecular systems

William H. Miller, W. Miller, Xiong Sun, 1997 .

A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling.

Stephen J. Cotton, W. Miller, Stephen J Cotton, 2016, The Journal of chemical physics.

Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics.

Stephen J. Cotton, W. Miller, Stephen J Cotton, 2015, The Journal of chemical physics.

Lawrence Berkeley National Laboratory Recent Work Title A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes Permalink

W. Miller, 2015 .

Time-dependent importance sampling in semi-classical initial value representation calculations for time correlation functions. III. A state-resolved implementation to electronically non-adiabatic dynamics

W. Miller, Guohua Tao, 2013 .

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electronically non-adiabatic processes.

Stephen J. Cotton, W. Miller, Stephen J Cotton, 2013, The Journal of chemical physics.

Ultrafast non-adiabatic dynamics of systems with multiple surface crossings: a test of the Meyer-Miller Hamiltonian with semiclassical initial value representation methods

E. Coronado, W. Miller, Jianhua Xing, 2001 .

Tunneling Corrections to Unimolecular Rate Constants, with Application to Formaldehyde

W. Miller, 1979 .

Current Status and Future Perspectives of Electron Interactions with Molecules , Clusters , Surfaces , and Interfaces

M. Head‐Gordon, J. Tennyson, W. Miller, 2000 .

Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation.

W. Miller, Takeshi Yamamoto, San-Jiang Yang, 2005, The Journal of chemical physics.

Oscillating reactivity of collinear symmetric heavy+light–heavy atom reactions

W. Miller, C. Hiller, J. Manz, 1983 .

On the existence of semiclassical eigenvalues for irregular spectra

W. Miller, 1976 .

Applications of a simple dynamical model to the reaction-path Hamiltonian: tunneling corrections to rate constants, product-state distributions, line widths of local-mode overtones, and mode specificity in unimolecular decomposition

W. Miller, C. Cerjan, S. Shi, 1982 .

RESONANCES IN THE SCATTERING OF ELECTRONS FROM ATOMS.

W. Miller, 1966 .

Modified classical S matrix for tunneling in the collinear H + H2 reaction

W. Miller, S. Hornstein, 1974 .

Complex‐Valued Classical Trajectories for Linear Reactive Collisions of H + H2 below the Classical Threshold

W. Miller, T. George, 1972 .

Semiclassical methods in chemical dynamics

W. Miller, 1985 .

Cooling of the 6-centimeter and 2-centimeter doublets of interstellar H$sub 2$CO by collision: an accurate quantum-mechanical calculation

W. Miller, B. Garrison, S. Green, 1975 .

SEMICLASSICAL METHODS IN REACTIVE AND NON-REACTIVE COLLISIONS

W. Miller, 1973 .

Tunneling in the unimolecular decomposition of formaldehyde: a more quantitative study

H. Schaefer, Y. Yamaguchi, W. Miller, 1981 .

Dynamics of Molecular Collisions

W. Miller, 1976 .

Semiclassical eigenvalues for rotating triatomic molecules

N. Handy, W. Miller, S. Colwell, 1979 .

A semiclassical determination of the energy levels of a rigid asymmetric rotor

N. Handy, W. Miller, S. Colwell, 1978 .

Accuracy of transition state theory for the threshold of chemical reactions with activation energy. Collinear and three-dimensional atomic hydrogen + molecular hydrogen

W. Miller, S. Hornstein, S. Chapman, 1975 .

Classical S‐Matrix Theory of Reactive Tunneling: Linear H+H2 Collisions

W. Miller, T. George, 1972 .

Rates of Chemical Reactions

W. Miller, 2002 .

Coupled channel distorted wave calculations for the three‐dimensional H+H2 reaction

G. Schatz, W. Miller, L. M. Hubbard, 1984 .

Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F*+H2→F+H2

W. Miller, H. Meyer, 1979 .

A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model.

David W. H. Swenson, E. Rabani, W. Miller, 2012, The Journal of chemical physics.

Classical models for electronic degrees of freedom: Quenching of Br*(2P1/2) by collision with H2 in three dimensions

W. Miller, D. P. Ali, 1984 .

Classical model for electronic degrees of freedom: charge transfer in Na + I collisions

W. Miller, S. Gray, 1982 .

Semiclassical Theory of Electronic Transitions in Low Energy Atomic and Molecular Collisions Involving Several Nuclear Degrees of Freedom

W. Miller, T. George, 1972 .

Comment on ‘‘Probability oscillations in single pass curve crossings: Semiclassical predictions of nonmonotonic dependence on crossing velocity’’

W. Miller, 1986 .

Geminate recombination of iodine atoms in solution: A generalized langevin treatment including the effect of electronically inelastic transitions

W. Miller, D. P. Ali, 1984 .

Semiclassical theory of collisionally induced fine‐structure transitions in fluorine atoms

W. Miller, R. K. Preston, C. Sloane, 1974 .

Classical S‐Matrix for Vibrational Excitation of H2 by Collision with He in Three Dimensions

J. Doll, W. Miller, 1972 .

Comparison of quantum scattering calculations for the H + H2 reaction using the LSTH and DMBE potentials

W. Miller, J. H. Zhang, S. Auerbach, 1990 .

Differential cross section (angular distribution) for the reaction H+H2(v=j=0)→H2(v′, ODD j′)+H in the energy range 0.90-1.35 eV

W. Miller, J. H. Zhang, 1989 .

Quantum interference among competing unimolecular decay channels: Asymmetric S0 D2CO decay profiles

W. Miller, C. Moore, W. F. Polik, 1988 .

Feshbach projection operator calculation of the potential energy surfaces and autoionization lifetimes for He(2 3S) –H and He(2 3S) –H2

A. P. Hickman, W. Miller, A. D. Isaacson, 1977 .

Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electron transfer.

Stephen J. Cotton, W. Miller, Kirill Igumenshchev, 2014, The Journal of chemical physics.

Note: Another resolution of the identity for two-electron integrals.

W. Miller, 2012, The Journal of chemical physics.

Classical trajectory models for electronically nonadiabatic collision processes: A classical valence bond model for electronic degrees of freedom

W. Miller, A. Orel, 1981 .

Multichannel distorted wave Born approximation for reactive scattering

W. Miller, L. M. Hubbard, S. Shi, 1983 .

Infrared laser enhancement of chemical reactions via collision induced absorption

W. Miller, A. Orel, 1979 .

Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation.

Stephen J. Cotton, W. Miller, 2019, The Journal of chemical physics.

On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics.

Stephen J. Cotton, W. Miller, Ruibin Liang, 2017, The Journal of chemical physics.

A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions.

E. Rabani, M. Thoss, W. Miller, 2014, The Journal of chemical physics.

Coupled‐channel study of rotational excitation of a rigid asymmetric top by atom impact: (H2CO,He) at interstellar temperatures

W. Lester, W. Miller, B. Garrison, 1976 .

Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology.

D. Case, G. Voth, T. Cheatham, 2010, Journal of chemical theory and computation.

Classical S‐matrix calculation for vibrationally inelastic transitions in three dimensional collisions of Li+ with H2

W. Miller, A. W. Raczkowski, 1974 .

Partial averaging in classical S-matrix theory. Vibrational excitation of H2 by He

W. Miller, A. W. Raczkowski, 1973 .

Quantum mechanical reactive scattering via exchange kernels: comparison of grid versus basis set expansion of the exchange interaction

M. Hermann, W. Miller, 1986 .

Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants

W. Miller, 1977 .

Quantum mechanical reactive scattering theory for simple chemical reactions: Recent developments in methodology and applications

W. Miller, 1990 .

Complex‐valued classical trajectories for reactive tunneling in three‐dimensional collisions of H and H2

J. Doll, W. Miller, T. George, 1973 .

Penning and associative ionization of triplet metastable helium atoms

H. Schaefer, W. Miller, B. Garrison, 1973 .

Comment on: Resonance structure in the energy dependence of state-to-state differential scattering cross sections for the

W. Miller, J. H. Zhang, R. Continetti, 1990 .

An analysis of the infrared and Raman spectra of the formic acid dimer (HCOOH)2

H. Schaefer, Y. Yamaguchi, W. Miller, 1987 .

Calculations of autoionization states of He and H

A. P. Hickman, W. Miller, A. D. Isaacson, 1976 .

Computation of autoionization lifetimes via a “golden rule” - like formula

W. Miller, 1970 .

The high-resolution spectroscopy of dissociating molecules

W. Miller, W. Green, C. Moore, 1990, Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences.

Quantum Mechanical Scattering Theory for Chemical Reactions

W. Miller, 1992 .

On the Absence of Anomalous Singularities in the S‐Matrix Version of the Kohn Variational Principle for Quantum Scattering

W. Miller, Lionel Gaucher, 1989 .

Further theoretical examination of the F + H2 entrance channel barrier

H. Schaefer, M. Frisch, W. Miller, 1985 .

Resonant features in the energy dependence of the rate of ketene isomerization

W. Miller, J. D. Gezelter, 1995 .

Response to “Comment on ’On the relation between unimolecular reaction rates and overlapping resonances’ ” [J. Chem. Phys. 106, 4810 (1997)]

W. Miller, H. Reisler, U. Peskin, 1997 .

Final state-selected spectra in unimolecular reactions: A transition-state- based random matrix model for overlapping resonances

W. Miller, H. Reisler, U. Peskin, 1995 .

Collisional Quenching of Metastable Hydrogen Atoms

H. Schaefer, W. Miller, C. Slocomb, 1971 .

Vibrational relaxation in the para‐H2–4He system: Comparison of coupled‐channel, coupled‐states, and effective potential methods

W. Lester, W. Miller, A. W. Raczkowski, 1978 .

Using classical mechanics in a quantum framework. Perspective on “Semiclassical description of scattering”

W. Miller, 2000 .

Theoretical Overview of Chemical Dynamics

W. Miller, 1995 .

Quantum mechanical reaction probabilities with a power series Green’s function

W. Miller, S. Auerbach, 1993 .

Quantum-mechanical rates for gas-surface processes

W. Miller, P. Saalfrank, 1994 .

Semiclassical study of electronically nonadiabatic dynamics in the condensed-phase: Spin-boson problem with Debye spectral density

Haobin Wang, D. Chandler, W. Miller, 1999 .

Classical Path Approximation for the Boltzmann Density Matrix

W. Miller, 1971 .

Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities

N. Handy, W. Miller, R. Hernandez, 1990 .

A semiclassical study of the thermal conductivity of low temperature liquids.

B. Alder, Jian Liu, W. Miller, 2011, The Journal of chemical physics.

Chemical reaction rates using the semiclassical Van Vleck initial value representation.

W. Miller, C. Venkataraman, 2007, The Journal of chemical physics.

The Dielectric and Optical Properties of the Homologous Series of Cyano-Alkyl-Biphenyl Liquid Crystals

W. Miller, D. Dunmur, M. R. Manterfield, 1978 .

The Classical S-Matrix: Linear Reactive Collisions of H + Cl2

C. Rankin, W. Miller, 1971 .

Orientational Order in Binary Mixtures of Nematic Liquid Crystals

W. Miller, P. Palffy-Muhoray, D. Dunmur, 1984 .

Dipole-Dipole Correlation in Nematic Liquid Crystals

W. Miller, D. Dunmur, 1980 .

Theoretical Treatment of Penning Ionization—He(1s2s 1S, 3S) + H(1s 2S)

H. Schaefer, W. Miller, 1970 .

Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model.

David W. H. Swenson, E. Rabani, W. Miller, 2011, The Journal of chemical physics.

A classical approach to dissociative electron attachment DA: application to temperature effects in the DA cross section of CF3Cl

W. Miller, L. Lehr, 1996 .

The Classical S‐Matrix in Molecular Collisions

William H. Miller, W. Miller, 2007 .

Quantum dynamics of complex molecular systems.

William H Miller, W. Miller, 2005, Proceedings of the National Academy of Sciences of the United States of America.

On the tautomerization reaction 2-pyridone*2-hydroxypyridine: an ab initio study

William H. Miller, Miquel Moreno, W. Miller, 1990 .

Gaussian approximation for the structure function in semiclassical forward-backward initial value representations of time correlation functions.

W. Miller, Guohua Tao, 2009, The Journal of chemical physics.

Femtosecond photoelectron spectroscopy of the I2− anion: Characterization of the Ã′ 2Πg,1/2 excited state

B. J. Greenblatt, W. Miller, D. Neumark, 1999 .

Semiclassical description of quantum coherence effects and their quenching: A forward–backward initial value representation study

Haobin Wang, M. Thoss, W. Miller, 2001 .

Femtosecond photoelectron spectroscopy of the I2− anion: A semiclassical molecular dynamics simulation method

B. J. Greenblatt, W. Miller, D. Neumark, 1999 .

Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space.

Yi Zhao, W. Miller, Takeshi Yamamoto, 2004, The Journal of chemical physics.

Classical formulation of the spectroscopy of nonadiabatic excited-state dynamics

W. Miller, G. Stock, 1993 .

Recent Advances in Quantum Mechanical Reactive Scattering Theory, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Sections for the H/D+H2→H2/HD+H Reactions

William H. Miller, W. Miller, 1990 .

Reaction surface description of intramolecular hydrogen atom transfer in malonaldehyde

Tucker Carrington, William H. Miller, T. Carrington, 1986 .

Semiclassical description of nonadiabatic quantum dynamics: Application to the S1–S2 conical intersection in pyrazine

M. Thoss, W. Miller, G. Stock, 2000 .

VOLUMETRIC STUDIES OF THE HOMOLOGOUS SERIES OF ALKYL-CYANO-BIPHENYL LIQUID CRYSTALS

W. Miller, D. Dunmur, 1979 .

Reaction path Hamiltonian: Tunneling effects in the unimolecular isomerization HNC→HCN

H. Schaefer, Y. Yamaguchi, W. Miller, 1980 .

Molecular Autoionization Lifetimes and Cross Sections for Penning Ionization: Numerical Results for He* (1s2s 3S) + H(1s 2S)

H. Schaefer, W. Miller, C. Slocomb, 1972 .

A journey through chemical dynamics.

W. Miller, 2014, Annual review of physical chemistry.

CALCULATION OF SIEGERT EIGENVALUES FOR MOLECULAR SYSTEMS: RESULTS FOR He(21/3S) + H

W. Miller, A. D. Isaacson, 1979 .

A UNIFIED TREATMENT OF PENNING IONIZATION AND EXCITATION TRANSFER

W. Miller, H. Morgner, 1977 .

Theory of Penning Ionization. I. Atoms

William H. Miller, W. Miller, 1970 .

Additions and Corrections - Structure and Tunneling Dynamics of Malonaldehyde. A Theoretical Study.

H. Schaefer, W. Miller, J. Bicerano, 1983 .

A transition state theory‐based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde

W. Miller, R. Hernandez, C. Moore, 1990 .

On the “direct” calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction

William H. Miller, W. Miller, Ward H. Thompson, 1997 .

Semiclassical Theory of Atom–Diatom Collisions: Path Integrals and the Classical S Matrix

W. Miller, 1970 .

A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

W. Miller, W. Hase, C. Darling, 1989 .

Importance of nonseparability in quantum mechanical transition-state theory

William H. Miller, W. Miller, 1976 .

A random matrix/transition state theory for the probability distribution of state-specific unimolecular decay rates : generalization to include total angular momentum conservation and other dynamical symmetries

W. Miller, R. Hernandez, C. Moore, 1993 .

Classical trajectory studies of the molecular dissociation dynamics of formaldehyde: H2CO→H2+CO

W. Miller, Yan‐Tyng Chang, C. Minichino, 1992 .

Quantum mechanical calculation of resonance tunneling in acetylene isomerization via the vinylidene intermediate

T. Germann, W. Miller, 1998 .

Vinylidene: Potential energy surface and unimolecular reaction dynamics

T. Carrington, H. Schaefer, W. Miller, 1984 .

Uniform Semiclassical Approximations for Elastic Scattering and Eigenvalue Problems

W. Miller, 1968 .

Quasi-adiabatic basis functions for the S-matrix Kohn variational approach to quantum reactive scattering

W. Miller, J. H. Zhang, 1990 .

Quantum mechanical rate constants for bimolecular reactions

William H. Miller, Steven D. Schwartz, John W. Tromp, 1983 .

Distorted‐Wave Theory for Collisions of an Atom and a Diatomic Molecule

W. Miller, 1968 .

Classical‐Limit Quantum Mechanics and the Theory of Molecular Collisions

William H. Miller, W. Miller, 2007 .

The classical S-matrix: a more detailed study of classically forbidden transitions in inelastic collissions☆

W. Miller, 1970 .

Classical S Matrix: Numerical Application to Inelastic Collisions

William H. Miller, W. Miller, 1970 .

Possibility of Extracting Anisotropy Parameters from the M Dependence of Total Cross-Section Measurements

W. Miller, 1969 .

Semiclassical Approximation for the Total Cross Section of Atom–Diatomic‐Molecule Collisions; Quenching of Glory Undulations

W. Miller, 1969 .

Nonadiabatic photodissociation dynamics of ICN in the Ã continuum: A semiclassical initial value representation study

E. Coronado, W. Miller, V. Batista, 2000 .

Collisional excitation of interstellar formaldehyde

W. A. Lester, W. Miller, B. Garrison, 1978 .

Classical trajectory model for electronically nonadiabatic collision phenomena. A classical analog for electronic degrees of freedom

W. Miller, C. W. McCurdy, 1978 .

Calculation of the cumulative reaction probability via a discrete variable representation with absorbing boundary conditions

W. Miller, T. Seideman, 1992 .

Semiclassical methods in chemical physics.

W. Miller, 1986, Science.

Theoretical calculation of photodetachment intensities for H3O

W. Miller, W. Thompson, H. O. Karlsson, 1996 .

A collocation approach for quantum scattering based on the S‐matrix version of the Kohn variational principle

Weitao Yang, W. Miller, A. Peet, 1989 .

A new basis set method for quantum scattering calculations

William H. Miller, W. Miller, Bernadette M. D. D. Jansen op de Haar, 1987 .

Effect of electronic transition dynamics on iodine atom recombination in liquids

W. Miller, D. P. Ali, 1983 .

Eigenstate‐resolved unimolecular reaction dynamics: Ergodic character of S0 formaldehyde at the dissociation threshold

W. Miller, C. Moore, D. Guyer, 1990 .

Application of the forward-backward initial value representation to molecular energy transfer

William H. Miller, W. Miller, David Skinner, 1999 .

Interference effects in rotational state distributions: Propensity and inverse propensity

W. Miller, C. W. McCurdy, 1977 .

Quantum scattering via the S‐matrix version of the Kohn variational principle

William H. Miller, John Z. H. Zhang, W. Miller, 1988 .

Collisional recombination reaction H+O2+M→HO2+M: Quantum mechanical study using filter diagonalization

W. Miller, V. Mandelshtam, H. Taylor, 1996 .

Semiclassical perturbation scattering by a rigid dipole

F. Smith, W. Miller, D. Huestis, 1975 .

Quantum Mechanical Rate Constants for O + OH h H + O2 for Total Angular Momentum J > 0

T. Germann, W. Miller, David Skinner, 1998 .

Quantum Mechanical Pressure-Dependent Reaction and Recombination Rates for O + OH → H + O2, HO2

T. Germann, W. Miller, 1997 .

QUANTUM MECHANICAL CALCULATION OF THE RAT CONSTANT FOR THE REACTION H+O2OH+O

W. Miller, C. Leforestier, 1994 .

Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants

William H. Miller, W. Miller, 1974 .

Penning ionization of H2 by He(2 3S): Quantum mechanical scattering calculations within the rigid‐rotor approximation

A. P. Hickman, W. Miller, A. D. Isaacson, 1977 .

Semiclassical quantization of nonseparable systems: A new look at periodic orbit theory

W. Miller, 1975 .

A semiclassical model for intramolecular vibrational relaxation of local mode overtone in polyatomic molecules

W. Miller, Shengua Shi, 1985 .

On the relation between unimolecular reaction rates and overlapping resonances

W. Miller, H. Reisler, U. Peskin, 1994 .

SEMICLASSICAL NATURE OF ATOMIC AND MOLECULAR COLLISIONS.

W. Miller, 1971 .

Semiclassical Treatment of Multiple Turning‐Point Problems—Phase Shifts and Eigenvalues

W. Miller, 1968 .

Classical S Matrix for Rotational Excitation; Quenching of Quantum Effects in Molecular Collisions

W. Miller, 1971 .

State-to-state reaction probabilities for H− + H2, D2 collisions

D. Colbert, G. Groenenboom, W. Miller, 1993 .

Mode specificity in the unimolecular dissociation of formaldehyde (H2CO→H2+CO), a two‐mode model

W. Miller, S. Gray, B. A. Waite, 1983 .

Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems

William H. Miller, Haobin Wang, W. Miller, 1998 .

Dynamics of the photodissociation of triplet ketene

W. Miller, J. D. Gezelter, J. Gezelter, 1996 .

Dynamical effects of symmetry along a reaction path: mode specificity in the unimolecular dissociation of formaldehyde

W. Miller, 1983 .

An empirical valence bond model for constructing global potential energy surfaces for chemical reactions of polyatomic molecular systems

William H. Miller, W. Miller, Yan Tyng. Chang, 1990 .

Model studies of mode specificity in unimolecular reaction dynamics

W. Miller, B. A. Waite, 1980 .

Quantum Mechanics of Chemical Reactions: Recent Developments in Reactive Scattering and in Reaction Path Hamiltonians

W. Miller, William H. Miller, 1989 .

A diabatic reaction path Hamiltonian

W. Miller, Yan‐Tyng Chang, B. A. Ruf, 1988 .

Reaction surface Hamiltonian for the dynamics of reactions in polyatomic systems

T. Carrington, W. Miller, 1984 .

REACTION PATH DYNAMICS FOR POLYATOMIC SYSTEMS

W. Miller, 1983 .

Semiclassical perturbation theory of electron-molecule collisions

F. Smith, W. Miller, 1978 .

A unified model for diffractive and inelastic scattering of a light atom from a solid surface

John E. Adams, W. Miller, 1979 .

A classical/semiclassical theory for the interaction of infrared radiation with molecular systems

W. Miller, 1978 .

Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen.

Jian Liu, W. Miller, 2008, The Journal of chemical physics.

Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems.

William H Miller, Jian Liu, W. Miller, 2007, The Journal of chemical physics.

Atomic scattering from a sinusoidal hard wall: Comparison of approximate methods with exact quantum results

W. Miller, R. Masel, R. P. Merrill, 1976 .

Time‐independent quantum dynamics for diatom–surface scattering

W. Miller, P. Saalfrank, 1993 .

The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations

William H. Miller, W. Miller, 2001 .

Calculation of elastic constants of nematic liquid crystals using an anisotropic lennard-jones potential

W. Miller, D. Dunmur, 1982 .

EXCHANGE REACTIONS OF DIIODOTYROSINE.

G. W. Anderson, W. Miller, R. K. Madison, 1944, Science.

How a skyrmion can appear both massive and massless

W. Miller, 2022 .

Opportunities for installed combined heat and power (CHP) to increase grid flexibility in the U.S.

W. Miller, Hyeunguk Ahn, V. Rapp, 2021 .

On the possibility of direct solution of the classical Liouville equation for inelastic molecular collisions; the reduced Liouville equation

W. Miller, B. Skuse, 1978 .

ELEVEN-MEV THICK TARGET BREMSSTRAHLUNG

W. Miller, H. Wyckoff, J. Motz, 1953 .

Periodic orbit description of tunneling in symmetric and asymmetric double-well potentials

W. Miller, 1979 .

ANALYTIC CONTINUATION OF CLASSICAL MECHANICS FOR CLASSICALLY FORBIDDEN COLLISION PROCESSES.

William H. Miller, Thomas F. George, W. Miller, 1972 .

Quantum mechanical reaction probabilities via a discrete variable representation-absorbing boundary condition Green's function

W. Miller, T. Seideman, 1992 .

THICK TARGET BREMSSTRAHLUNG SPECTRA FOR 1.00-,1.25-, AND 1.40-MEV ELECTRONS

W. Miller, J. Motz, C. Cialella, 1954 .

WKB Solution of Inversion Problems for Potential Scattering

W. Miller, 1969 .

Basis set methods for describing the quantum mechanics of a ‘‘system’’ interacting with a harmonic bath

W. Miller, N. Makri, 1987 .

A semiclassical multichannel branching model for describing state‐specific unimolecular decomposition and other dynamical processes in polyatomic molecular systems

W. Miller, B. A. Waite, 1982 .

Recent Developments in Semiclassical Mechanics: Eigenvalues and Reaction Rate Constants

W. Miller, 1976 .

Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action‐angle variables

B. C. Garrett, W. Miller, S. Chapman, 1976 .

Classical‐Limit Quantization of Nonseparable Systems: Multidimensional WKB Perturbation Theory

J. Doll, W. Miller, 1972 .

Quasiclassical selection of initial coordinates and momenta for a rotating Morse oscillator

L. Raff, W. Miller, R. Porter, 1975 .

Classical mapping for Hubbard operators: application to the double-Anderson model.

E. Rabani, W. Miller, Bin Li, 2014, The Journal of chemical physics.

Quantum mechanical calculations of the rate constant for the H2+OH→H+H2O reaction: Full‐dimensional results and comparison to reduced dimensionality models

W. Miller, T. Seideman, U. Manthe, 1994 .

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.

Jian Liu, W. Miller, 2011, The Journal of chemical physics.

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.

Jian Liu, W. Miller, 2011, The Journal of chemical physics.

On the quantum mechanical implications of classical ergodicity

N. Handy, W. Miller, R. M. Stratt, 1979 .

Mode specificity in unimolecular reaction dynamics: The Henon-Heiles potential energy surface

W. Miller, B. A. Waite, 1981 .

Quantum-instanton evaluation of the kinetic isotope effects.

W. Miller, J. Vaníček, F. J. Aoiz, 2005, The Journal of chemical physics.

Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero.

M. Ceotto, W. Miller, San-Jiang Yang, 2005, The Journal of chemical physics.

Quantum instanton approximation for thermal rate constants of chemical reactions

Michele Ceotto, William H. Miller, M. Ceotto, 2003 .

A semiclassical tunneling model for use in classical trajectory simulations

W. Miller, N. Makri, 1989 .

Quantum reactive scattering via the S-matrix version of the Kohn variational principle: Integral cross sections For H+H2(ν1=j1=0)→H2(ν2=1, j2= 1, 3) + H in the energy range Etotal = 0.9–1.4 eV

W. Miller, J. H. Zhang, 1988 .

A new (cartesian) reaction-path model for dynamics in polyatomic systems, with application to H-atom transfer in malonaldehyde

W. Miller, B. A. Ruf, 1988 .

New Physical Interpretation for Time in Scattering Theory

William H. Miller, Eli Pollak, W. Miller, 1984 .

Spiers Memorial Lecture Quantum and semiclassical theory of chemical reaction rates

William H. Miller, W. Miller, 1998 .

Semiclassical eigenvalues for potential functions defined on a finite interval

John E. Adams, W. Miller, 1977 .

Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field.

Jian Liu, W. Miller, S. Saito, 2011, The Journal of chemical physics.

Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology

William H. Miller, Michael Thoss, Haobin Wang, 2001 .

Beyond transition-state theory: A rigorous quantum theory of chemical reaction rates

William H. Miller, W. Miller, 1993 .

How to observe the elusive resonances in H or D + H2 → H2 or HD + H reactive scattering

W. Miller, J. H. Zhang, 1991 .

Generalized forward–backward initial value representation for the calculation of correlation functions in complex systems

Haobin Wang, M. Thoss, W. Miller, 2001 .

Semiclassical description of diffraction and its quenching by the forward–backward version of the initial value representation

Haobin Wang, M. Thoss, W. Miller, 2001 .

Quantum reactive scattering calculations of Franck—Condon factors for the photodetachment of H2F− and D2F− and comparisons with experiment

W. Miller, J. H. Zhang, D. Neumark, 1991 .

Photodissociation and continuum resonance Raman cross sections and general Franck–Condon intensities from S‐matrix Kohn scattering calculations with application to the photoelectron spectrum of H2F−+hν→H2+F, HF+H + e−

W. Miller, J. H. Zhang, 1990 .

Accurate three‐dimensional quantum scattering calculations for F+H2→HF+H

William H. Miller, John Z. H. Zhang, W. Miller, 1988 .

Analysis of the generalized Stueckelberg method of non-adiabatic transitions

W. Miller, A. Bandrauk, 1979 .

A semiclassical correction for quantum mechanical energy levels.

W. Miller, A. Kaledin, C. W. McCurdy, 2010, The Journal of chemical physics.

On the Variation—Perturbation Method for Excited States

W. Miller, 1966 .

Time correlation function and path integral analysis of quantum rate constants

G. Voth, D. Chandler, W. Miller, 1989 .

Semiclassical trajectory calculations of helium scattering from W(112)

W. Miller, R. Masel, R. P. Merrill, 1974 .

The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes.

William H. Miller, Stephen J. Cotton, W. Miller, 2016, Journal of chemical theory and computation.

Theoretical Studies of H + H2 Rotationally Inelastic Scattering

M. Karplus, W. Miller, G. Wolken, 1972 .

Final‐State Interactions in Collisions of an Atom and a Diatomic Molecule

W. Miller, 1969 .

Semiclassical treatment of atom‐asymmetric rotor collisions; rotational excitation of formaldehyde at low energies

W. Miller, S. D. Augustin, 1974 .

Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2

W. Miller, W. Thompson, 1994 .

Cumulative and State-to-State Reaction Probabilities via a Discrete Variable Representation — Absorbing Boundary Condition Green’s Function

W. Miller, T. Seideman, 1992 .

Reply to comment on: Accurate three-dimensional quantum scattering calculations for F+H2→HF+H

W. Miller, J. H. Zhang, 1989 .

The cumulative reaction probability as eigenvalue problem

William H. Miller, Uwe Manthe, W. Miller, 1993 .

Classical trajectory study of rotational excitation in low energy HeCO and HeH2 collisions

W. Miller, S. D. Augustin, 1974 .

Semiclassical description of vibrational quantum coherence in a three dimensional I(2)Ar(n) (n < or = 6) cluster: a forward-backward initial value representation implementation.

W. Miller, Guohua Tao, 2009, The Journal of chemical physics.

Efficient polynomial expansion of the scattering Green’s function: Application to the D+H2(v=1) rate constant

W. Miller, S. Auerbach, 1994 .

Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction

William H. Miller, Uwe Manthe, W. Miller, 1993 .

Quantum mechanical reactive scattering via exchange kernels: Infinite order exchange on a grid

W. Miller, S. Shi, P. S. Dardi, 1985 .

Semiclassical theory of diffraction in elastic scattering

W. Miller, G. Zahr, 1975 .

The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers.

Stephen J. Cotton, R. Hegger, W. Miller, 2018, The Journal of chemical physics.

Renormalization of the frozen Gaussian approximation to the quantum propagator.

W. Miller, E. Pollak, Guohua Tao, 2011, The Journal of chemical physics.

Quantum and Semiclassical Theories of Chemical Reaction Rates

W. Miller, 1995 .

Semi-classical correction for quantum-mechanical scattering

W. Miller, S. Keshavamurthy, 1994 .

A semiclassical model to incorporate multidimensional tunneling in classical trajectory simulations using locally conserved actions

W. Miller, S. Keshavamurthy, 1993 .

Classical molecular dynamics simulation of electronically non-adiabatic processes.

Stephen J. Cotton, W. Miller, 2016, Faraday discussions.

Path integral evaluation of the quantum instanton rate constant for proton transfer in a polar solvent.

William H Miller, Takeshi Yamamoto, W. Miller, 2005, The Journal of chemical physics.

Monte Carlo path integration for the real time propagator

W. Miller, N. Makri, 1988 .

A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids.

Jian Liu, W. Miller, 2009, The Journal of chemical physics.

Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2′-hydroxyphenyl)–oxazole

V. Guallar, W. Miller, V. Batista, 2000 .

Semiclassical transition state theory for nonseparable systems: Application to the collinear H+H2 reaction

William H. Miller, Sally Chapman, B. C. Garrett, 1975 .

Semiclassical theory of electronically nonadiabatic dynamics: results of a linearized approximation to the initial value representation

William H. Miller, Haobin Wang, W. Miller, 1998 .

“Direct” and “Correct” Calculation of Canonical and Microcanonical Rate Constants for Chemical Reactions

William H. Miller, W. Miller, 1998 .

Reactive scattering theory for molecular transitions in time‐dependent fields

W. Miller, U. Peskin, 1995 .

Application of the semiclassical initial value representation and its linearized approximation to inelastic scattering

William H. Miller, W. Miller, David Skinner, 1999 .

QUANTUM MECHANICAL REACTIVE SCATTERING THEORY, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Sections for the

W. Miller, 1990 .

Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems

Haobin Wang, M. Thoss, W. Miller, 2000 .

Comparison of the Gaussian and Bessel Function Exchange Functionals with the Hartree-Fock Exchange for Molecules

N. Handy, W. Miller, G. J. Laming, 1995 .

Curve Crossing of the B 3Σu− and 3Π u States of O2 and Its Relation to Predissociation in the Schumann—Runge Bands

H. Schaefer, W. Miller, 1971 .

A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states.

Stephen J. Cotton, W. Miller, 2019, The Journal of chemical physics.

Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix.

Stephen J. Cotton, W. Miller, 2016, The Journal of chemical physics.

Optimized preconditioners for Green function evaluation in quantum reactive scattering calculations

W. Miller, B. Poirier, 1997 .

Forward-backward initial value representation for semiclassical time correlation functions

W. Miller, Xiong Sun, 1999 .

Semiclassical molecular dynamics simulations of ultrafast photodissociation dynamics associated with the Chappuis band of ozone

W. Miller, V. Batista, 1998 .

On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation.

William H Miller, Takeshi Yamamoto, W. Miller, 2004, The Journal of chemical physics.

Monte carlo integration with oscillatory integrands: implications for feynman path integration in real time

W. Miller, N. Makri, 1987 .

Theoretical Models for Reaction Dynamics in Polyatomic Molecular Systems

W. Miller, 1989 .

Semiclassical Description of Electronic Excitation Population Transfer in a Model Photosynthetic System

W. Miller, Guohua Tao, 2010 .

Penning ionization of H2 by He*: Calculation of anomalous structure in the singlet interaction potential

A. P. Hickman, W. Miller, A. D. Isaacson, 1977 .

A pointwise representation of the s-matrix Kohn variational principle for quantum scattering

W. Miller, A. Peet, 1988 .

Comment on: ‘‘Quantum scattering via the S‐matrix version of the Kohn variational principle’’

W. Miller, J. H. Zhang, 1988 .

Expansion of exchange kernels for reactive scattering

John E. Adams, W. Miller, 1979 .

Transition state theory, Siegert eigenstates, and quantum mechanical reaction rates

W. Miller, T. Seideman, 1991 .

S-Matrix Version of the Kohn Variational Principle for Quantum Scattering Theory of Chemical Reactions

W. Miller, 1992 .

New approach to quantum mechanical transition-state theory

J. Tromp, W. Miller, 1986 .

‘‘Direct’’ calculation of quantum mechanical rate constants via path integral methods: Application to the reaction path Hamiltonian, with numerical test for the H+H2 reaction in 3D

W. Miller, K. Yamashita, 1985 .

The reactive flux correlation function for collinear reactions H + H2, Cl + HCl and F + H2

J. Tromp, W. Miller, 1987 .

Using a family of dividing surfaces normal to the minimum energy path for quantum instanton rate constants.

W. Miller, Yimin Li, 2006, The Journal of chemical physics.

Test of the quantum instanton approximation for thermal rate constants for some collinear reactions.

M. Ceotto, W. Miller, 2004, The Journal of chemical physics.

On the ‘‘direct’’ calculation of thermal rate constants

W. Miller, W. Thompson, 1995 .

Recent Developments in the Quantum Mechanical Theory of Chemical Reaction Rates

W. Miller, 1995 .

Including quantum effects in the dynamics of complex (i.e., large) molecular systems.

William H Miller, W. Miller, 2006, The Journal of chemical physics.

State-specific reaction probabilities from a DVR-ABC Green function

W. Miller, W. Thompson, 1993 .

On the Relation between the Semiclassical Initial Value Representation and an Exact Quantum Expansion in Time-Dependent Coherent States †

W. Miller, 2002 .

Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer

W. Miller, Xiong Sun, 1998 .

Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems

W. Miller, N. Makri, Yan‐Tyng Chang, 1991 .

Calculation of semiclassical eigenvalues with one arbitrary trajectory

W. Miller, 1984 .

Classical model for electronic degrees of freedom in nonadiabatic collision processes: Pseudopotential analysis and

W. Miller, C. W. McCurdy, H. Meyer, 1979 .

A phase space sampling approach to equilibrium semiclassical statistical mechanics

W. Miller, R. M. Stratt, 1977 .

Quantum scattering from a sinusoidal hard wall: Atomic diffraction from solid surfaces

William H. Miller, Richard I. Masel, W. Miller, 1975 .

Additional WKB Inversion Relations for Bound‐State and Scattering Problems

W. Miller, 1971 .

CLASSICAL MODEL FOR ELECTRONICALLY NON-ADIABATIC COLLISION PROCESSES: RESONANCE EFFECTS IN ELECTRONIC-VIBRATIONAL ENERGY TRANSFER

W. Miller, A. Orel, D. Ali, 1981 .

A semiclassical model for atomic scattering from solid surfaces—He and Ne scattering from W(112)

W. Miller, R. Masel, R. P. Merrill, 1976 .

Semiclassical theories and quantum hardwall calculation of atom surface scattering

W. Miller, R. Masel, R. P. Merrill, 1976 .

Quantifying the extent of recrossing flux for quantum systems

C. Predescu, W. Miller, M. Small, 2005 .

The Initial Value Representation of Semiclassical Theory -- A Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations of Complex Molecular Systems

W. Miller, 2008 .

Analytic continuation of real-time correlation functions to obtain thermal rate constants for chemical reaction

Haobin Wang, W. Miller, 1999 .

On the semiclassical description of quantum coherence in thermal rate constants

William H. Miller, Haobin Wang, W. Miller, 1998 .

Semiclassical calculation of Franck-Condon intensities for reactive systems

W. Miller, B. W. Spath, 1996 .

Comment on: Semiclassical time evolution without root searches

William H. Miller, W. Miller, 1991 .

Exponential power series expansion for the quantum time evolution operator

W. Miller, N. Makri, 1989 .

APPLICATION OF THE SEMICLASSICAL PERTURBATION (SCP) APPROXIMATION TO DIFFRACTION AND ROTATIONALLY INELASTIC SCATTERING OF ATOMS AND MOLECULES FROM SURFACES

W. Miller, L. M. Hubbard, 1983 .

Monte Carlo path integration in real time via complex coordinates

W. Miller, Johnny Chang, 1987 .

Quantum mechanical rate constants via path integrals: diffusion of hydrogen atoms on a tungsten(100) surface

W. Miller, R. Jaquet, 1985 .

Improved Equation for Lower Bounds to Eigenvalues; Bounds for the Second‐Order Perturbation Energy

W. Miller, 1969 .

Collision induced absorption spectra for gas phase chemical reactions in a high power IR laser field

W. Miller, A. Orel, 1980 .

Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation.

W. Miller, Guohua Tao, 2012, The Journal of chemical physics.

Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions.

W. Miller, Guohua Tao, 2011, The Journal of chemical physics.

Statistical sampling of semiclassical distributions: Calculating quantum mechanical effects using Metropolis Monte Carlo

Sean X. Sun, W. Miller, 2002 .

Combining semiclassical time evolution and quantum Boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems

William H. Miller, Takeshi Yamamoto, Haobin Wang, 2002 .

Generalized Filinov transformation of the semiclassical initial value representation

Haobin Wang, D. Manolopoulos, W. Miller, 2001 .

A Cartesian classical second-quantized many-electron Hamiltonian, for use with the semiclassical initial value representation.

W. Miller, Bin Li, 2012, The Journal of chemical physics.

QUANTUM CORRECTIONS (WITHIN THE CLASSICAL PATH APPROXIMATION) TO THE BOLTZMANN DENSITY MATRIX

W. Miller, S. Hornstein, 1972 .

CLASSICAL-LIMIT GREEN'S FUNCTION (FIXED-ENERGY PROPAGATOR) AND CLASSICAL QUANTIZATION OF NONSEPARABLE SYSTEMS.

W. Miller, 1972 .

A Log-Derivative Formulation of the Prefactor for the Semiclassical Herman-Kluk Propagator†

Haobin Wang, M. Thoss, W. Miller, 2000 .

Erratum: “On the ‘direct’ calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction” [J. Chem. Phys. 106, 142 (1997)]

W. Miller, W. Thompson, 1997 .

Path integral evaluation of the kinetic isotope effects based on the quantum instanton approximation

W. Miller, J. Vaníček, 2006, physics/0604150.

QUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE: INTEGRAL CROSS SECTIONS FOR H+H,(z+=j,=O)~H&=l, j,=l, 3)+H IN THE ENERGY RANGE &,,,=0.9-1.4 eV

W. Miller, 1988 .

System‐bath decomposition of the reaction path Hamiltonian. II. Rotationally inelastic reactive scattering of H+H2 in three dimensions

W. Miller, S. Schwartz, 1983 .

SYSTEM-BATH DECOMPOSITION OF THE REACTION PATH HAMILTONIAN FOR POLYATOMIC SCATTERING; QUANTUM PERTURBATIVE TREATMENT

W. Miller, S. Schwartz, 1982 .

Reaction Path Hamiltonian for Polyatomic Systems: Further Developments and Applications

William H. Miller, W. Miller, 1981 .

Unified semiclassical perturbation and infinite order sudden approximation, with application to the reaction path Hamiltonian model

W. Miller, S. Shi, 1981 .

Semiclassical description of electronically nonadiabatic dynamics via the initial value representation.

William H Miller, W. Miller, N. Ananth, 2007, The Journal of chemical physics.

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.

Jian Liu, W. Miller, 2011, Journal of Chemical Physics.

Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen.

Jian Liu, W. Miller, 2008, The Journal of chemical physics.

ON THE REFLECTION PROBABILITY IN ELASTIC SCATTERING PROCESSES AS OBTAINED VIA THE ABSORBING BOUNDARY CONDITIONS-DISCRETE VARIABLE REPRESENTATION (ABC- DVR) GREEN FUNCTION FORMALISM

W. Miller, N. Moiseyev, I. Vorobeichik, 1997 .

Quantum time evolution in time‐dependent fields and time‐independent reactive‐scattering calculations via an efficient Fourier grid preconditioner

W. Miller, U. Peskin, Å. Edlund, 1995 .

Quantum mechanical theory of collisional recombination rates. Part 2.—Beyond the strong collision approximation

W. Miller, 1995 .

Block Lanczos approach combined with matrix continued fraction for the S‐matrix Kohn variational principle in quantum scattering

Weitao Yang, W. Miller, 1989 .

Reaction Dynamics in Polyatomic Molecular Systems: Some Approaches for Constructing Potential Energy Surfaces and Incorporating Quantum Effects in Classical Trajectory Simulations

W. Miller, 1992 .

Effect of reaction path curvature and dimensionality on the accuracy of classical transition state theory

W. Miller, 1982 .

Molecular ramsauer-townsend effect in very low energy 4He-4He scattering

W. Miller, 1971 .

Reaction Paths and Surfaces for Hydrogen Atom Transfer Reactions in Polyatomic Molecules

W. Miller, 1986 .

Resonance effects in the semiclassical theory of electronically nonadiabatic collision processes

W. Miller, 1978 .

Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions.

W. Miller, Guohua Tao, 2011, The Journal of chemical physics.

Semiclassical description of vibrational quantum coherence in a three dimensional I(2)Ar(n) (n < or = 6) cluster: a forward-backward initial value representation implementation.

W. Miller, Guohua Tao, 2009, The Journal of chemical physics.

Analysis and extension of some recently proposed classical models for electronic degrees of freedom

Hans-Dieter Meyer, William H. Miller, W. Miller, 1980 .

Semiclassical calculation of cumulative reaction probabilities

W. Miller, B. W. Spath, 1996 .

Reaction Path Models for Polyatomic Reaction Dynamics-- from Transition State Theory to Path Integrals

W. Miller, 1986 .

Some New Approaches to Semiclassical and Quantum Transition State Theory

W. Miller, 1991 .

ACCURACY OF TRANSITION STATE THEORY FOR THE THRESHOLD OF CHEMICAL REACTIONS WITH ACTIVATION ENERGY: COLLINEAR AND THREE DIMENSIONAL H + H2

W. Miller, S. Hornstein, S. Chapman, 1974 .

The Quantum Instanton (QI) Model for Chemical Reaction Rates: The "Simplest" QI with One Dividing Surface †

W. Miller, C. Venkataraman, 2004 .

Thermal and Microcanonical Rates of Unimolecular Reactions from an Energy Diffusion Theory Approach

W. Miller, D. Thompson, Yin Guo, 1999 .