B. Poirier

发表

Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks.

F. Machado, C. Petty, R. F. K. Spada, 2018, The Journal of chemical physics.

Reconciling semiclassical and Bohmian mechanics: IV. Multisurface dynamics.

B. Poirier, G. Parlant, 2007, The journal of physical chemistry. A.

Accurate quantum dynamics calculations using symmetrized Gaussians on a doubly dense Von Neumann lattice.

B. Poirier, Thomas Halverson, 2012, The Journal of chemical physics.

Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. II. Construction and optimization.

Bill Poirier, A. Salam, B. Poirier, 2004, The Journal of chemical physics.

Quantum dynamics calculations using symmetrized, orthogonal Weyl-Heisenberg wavelets with a phase space truncation scheme. III. Representations and calculations.

Bill Poirier, A. Salam, B. Poirier, 2004, The Journal of chemical physics.

USING WAVELETS TO EXTEND QUANTUM DYNAMICS CALCULATIONS TO TEN OR MORE DEGREES OF FREEDOM

Bill Poirier, B. Poirier, 2003 .

Communication: Adiabatic quantum trajectory capture for cold and ultra-cold chemical reactions.

B. Poirier, G. Parlant, Y. Scribano, 2018, The Journal of chemical physics.

Accelerating the calculation of energy levels and wave functions using an efficient preconditioner with the inexact spectral transform method

Tucker Carrington, Bill Poirier, T. Carrington, 2001 .

Exact bound rovibrational spectra of the neon tetramer.

C. Petty, B. Poirier, János Sarka, 2019, The Journal of chemical physics.

Using ScalIT for Performing Accurate Rovibrational Spectroscopy Calculations for Triatomic Molecules: A Practical Guide

C. Petty, B. Poirier, 2014 .

QUANTUM DYNAMICAL CALCULATION OF ALL ROVIBRATIONAL STATES OF HO2 FOR TOTAL ANGULAR MOMENTUM J = 0–10

B. Poirier, Wenwu Chen, 2010 .

OPTIMAL SEPARABLE BASES AND SERIES EXPANSIONS

B. Poirier, 1997 .

Semiclassically optimized complex absorbing potentials of polynomial form. II. Complex case

T. Carrington, B. Poirier, 2003 .

Semiclassically optimized complex absorbing potentials of polynomial form. I. Pure imaginary case

T. Carrington, B. Poirier, 2003 .

Calculation of exact vibrational spectra for P2O and CH2NH using a phase space wavelet basis.

B. Poirier, Thomas Halverson, 2014, The Journal of chemical physics.

Accurate characterization of the lowest triplet potential energy surface of SO2 with a coupled cluster method.

Hua Guo, B. Poirier, J. Kłos, 2019, The Journal of chemical physics.

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃(1)A1 and excited C̃(1)B2(2(1)A(')) states of SO2.

Hua Guo, B. Jiang, B. Poirier, 2016, The Journal of chemical physics.

Towards a mathematical theory of the Madelung equations: Takabayasi’s quantization condition, quantum quasi-irrotationality, weak formulations, and the Wallstrom phenomenon

B. Poirier, Maik Reddiger, 2022, Journal of Physics A: Mathematical and Theoretical.

A quantum dynamical study of the rotation of the dihydrogen ligand in the Fe(H)2(H2)(PEtPh2)3 coordination complex.

A. Aquino, J. Eckert, B. Poirier, 2018, The Journal of chemical physics.

Comparison of J-shifting models for rovibrational spectra as applied to the HO2 molecule

C. Petty, B. Poirier, 2014 .

Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories.

B. Poirier, D. Lauvergnat, F. Agostini, 2022, Journal of chemical theory and computation.

Assigning quantum labels and improving accuracy for the ro-vibrational eigenstates of H 3 + calculated using ScalIT

B. Poirier, János Sarka, 2022, Frontiers in Physics.

The J-dependent rotational Hamiltonian method for analyzing rovibrational spectra: Application to HO2, H2O, and O3

B. Poirier, Praveen Kumar, 2019, Chemical Physics Letters.

A quantum dynamical study of the He++2He→He2++He reaction

G. I. Gellene, B. Poirier, Junkai Xie, 2003 .

Exact matrix elements for general two-body central-force interactions, expressed as sums of products

J. Jerke, B. Poirier, J. Karwowski, 2018, Molecular Physics.

Photoabsorption Assignments for the C̃1B2 ← X̃1A1 Vibronic Transitions of SO2, Using New Ab Initio Potential Energy and Transition Dipole Surfaces.

Hua Guo, B. Jiang, B. Poirier, 2017, The journal of physical chemistry. A.

The One-Body Born Rule on Curved Spacetime

B. Poirier, Maik Reddiger, 2020, 2012.05212.

Reconciling semiclassical and Bohmian mechanics. V. Wavepacket dynamics.

B. Poirier, 2008, The Journal of chemical physics.

Reconciling semiclassical and Bohmian mechanics. I. Stationary states.

B. Poirier, 2004, The Journal of chemical physics.

Reconciling semiclassical and Bohmian mechanics. III. Scattering states for continuous potentials.

B. Poirier, C. Trahan, 2006, The Journal of chemical physics.

Bohmian mechanics without pilot waves

B. Poirier, 2010 .

Analytical treatment of Coriolis coupling for three-body systems

B. Poirier, 2005 .

A general framework for discrete variable representation basis sets

Tucker Carrington, Robert G. Littlejohn, Bill Poirier, 2002 .

Rovibrational bound states of neon trimer: quantum dynamical calculation of all eigenstate energy levels and wavefunctions.

B. Poirier, Benhui Yang, Wenwu Chen, 2011, The Journal of chemical physics.

Isotope shifts and band progressions in SO2 rovibrational energy levels: using quantum theory to extract rotational constants

B. Poirier, Praveen Kumar, 2019, Molecular Physics.

Rovibrational bound states of SO 2 isotopologues. II: Total angular momentum J = 11–20

B. Poirier, Praveen Kumar, 2015 .

Rovibrational bound states of SO2 isotopologues. I: Total angular momentum J = 0–10

B. Poirier, J. Ellis, Praveen Kumar, 2015 .

Accurate calculations of bound rovibrational states for argon trimer.

B. Poirier, D. Brandon, 2014, The Journal of chemical physics.

Calculation of rovibrational eigenstates of H3+ using ScalIT

B. Poirier, Debojyoti Das, János Sarka, 2021 .

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: Considerations of symmetry, accuracy, and simplicity. II. Case studies for H2O isotopologues, H3+, O3, and NH3.

V. Szalay, A. Császár, B. Poirier, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Comment on "Calculated vibrational states of ozone up to dissociation" [J. Chem. Phys. 144, 074302 (2016)].

B. Poirier, János Sarka, 2020, The Journal of chemical physics.

Quantum dynamical calculation of bound rovibrational states of HO2 up to largest possible total angular momentum, J ≤ 130.

C. Petty, B. Poirier, Wenwu Chen, 2013, The journal of physical chemistry. A.

Accurate and highly efficient calculation of the highly excited pure OH stretching resonances of O(1D)HCl, using a combination of methods.

W. Bian, B. Poirier, 2004, The Journal of chemical physics.

ACCURATE AND HIGHLY EFFICIENT CALCULATION OF THE O(1D)HCl VIBRATIONAL BOUND STATES, USING A COMBINATION OF METHODS

W. Bian, B. Poirier, 2003 .

Phase space optimization of quantum representations: Direct-product basis sets

J. Light, B. Poirier, 1999 .

Quantum Trajectory Description of the Time-Independent (Inverse) Fermi Accelerator

M. Hussein, B. Poirier, M. S. Hussein, 2020, Brazilian Journal of Physics.

A Non-relativistic Approach to Relativistic Quantum Mechanics: The Case of the Harmonic Oscillator

L. Grave de Peralta, B. Poirier, L. A. Poveda, 2022, Foundations of Physics.

Parallel implementation of efficient preconditioned linear solver for grid-based applications in chemical physics. II: QMR linear solver

Wenwu Chen, Bill Poirier, B. Poirier, 2006, J. Comput. Phys..

Sech wave packets, their Wigner functions and Bohmian trajectories

J. Schiff, B. Poirier, 2012 .

An action principle for complex quantum trajectories

B. Poirier, D. Tannor, 2012 .

Full-dimensional Schrödinger wavefunction calculations using tensors and quantum computers: the Cartesian component-separated approach.

J. Jerke, B. Poirier, 2021, Physical chemistry chemical physics : PCCP.

Efficient Evaluation of Exponential and Gaussian Functions on a Quantum Computer

B. Poirier, 2021, 2110.05653.

Quantum dynamics of hydrogen interacting with single-walled carbon nanotubes: multiple H-atom adsorbates.

B. Poirier, J. McAfee, 2011, The Journal of chemical physics.

Quantum dynamics of hydrogen interacting with single-walled carbon nanotubes.

B. Poirier, J. McAfee, 2009, The Journal of chemical physics.

Accurate, two-state ab initio study of the ground and first-excited states of He2+, including exact treatment of all Born-Oppenheimer correction terms.

G. I. Gellene, B. Poirier, Junkai Xie, 2005, The Journal of chemical physics.

Using phase-space Gaussians to compute the vibrational states of OCHCO.

B. Poirier, A. Pandey, 2019, The Journal of chemical physics.

A Non-relativistic Approach to Relativistic Quantum Mechanics: The Case of the Harmonic Oscillator

L. Grave de Peralta, B. Poirier, L. A. Poveda, 2022, Foundations of Physics.

Final State Resolved Quantum Predissociation Dynamics of SO2(C̃1B2) and Its Isotopomers via a Crossing with a Singlet Repulsive State.

Hua Guo, B. Jiang, B. Poirier, 2017, The journal of physical chemistry. A.

Accurate quantum calculation of the bound and resonant rovibrational states of Li-(H2).

B. Poirier, Y. Xiao, 2005, The Journal of chemical physics.

Critical evaluation of measured rotational–vibrational transitions of four sulphur isotopologues of S16O2

J. Tennyson, J. Flaud, A. Császár, 2018 .

First-principles C band absorption spectra of SO2 and its isotopologues.

Hua Guo, B. Jiang, B. Poirier, 2017, The Journal of chemical physics.

QUANTUM DYNAMICS ON MASSIVELY PARALLEL COMPUTERS: EFFICIENT NUMERICAL IMPLEMENTATION FOR PRECONDITIONED LINEAR SOLVERS AND EIGENSOLVERS

Wenwu Chen, Bill Poirier, B. Poirier, 2010 .

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

V. Szalay, A. Császár, B. Poirier, 2020, Scientific Reports.

Parallel implementation of an efficient preconditioned linear solver for grid-based applications in chemical physics. III: Improved parallel scalability for sparse matrix-vector products

Wenwu Chen, Bill Poirier, B. Poirier, 2010, J. Parallel Distributed Comput..

Parallel implementation of efficient preconditioned linear solver for grid-based applications in chemical physics. I: Block Jacobi diagonalization

Wenwu Chen, Bill Poirier, B. Poirier, 2006, J. Comput. Phys..

Quantum reactive scattering for three-body systems via optimized preconditioning, as applied to the O+HCl reaction

B. Poirier, 1998 .

A preconditioned inexact spectral transform method for calculating resonance energies and widths, as applied to HCO

T. Carrington, B. Poirier, 2002 .

Trajectory-based conservation laws for massive spin-zero relativistic quantum particles in 1 + 1 spacetime

B. Poirier, Hung-Ming Tsai, 2020, Journal of Physics: Conference Series.

Optimized preconditioners for Green function evaluation in quantum reactive scattering calculations

W. Miller, B. Poirier, 1997 .

Communication: The H2@C60 inelastic neutron scattering selection rule: Expanded and explained.

B. Poirier, 2015, The Journal of chemical physics.

Making relativistic quantum mechanics simple

B. Poirier, L. A. Poveda, L. G. de Peralta, 2021, European Journal of Physics.

On the Differentiation Lemma and the Reynolds Transport Theorem for Manifolds with Corners

B. Poirier, Maik Reddiger, 2019 .

One Million Quantum States of Benzene.

B. Poirier, Thomas Halverson, 2015, The journal of physical chemistry. A.

Efficient distributed Gaussian basis for rovibrational spectroscopy calculations

J. Light, B. Poirier, 2000 .

Two-body Schrödinger wave functions in a plane-wave basis via separation of dimensions.

J. Jerke, B. Poirier, 2018, The Journal of chemical physics.

The One-Body Born Rule on Curved Spacetime

B. Poirier, 2022 .

Exploring the propagation of relativistic quantum wavepackets in the trajectory-based formulation

B. Poirier, Hung-Ming Tsai, 2016, 1605.01714.

Viewing quantum mechanics through the prism of electromagnetism

B. Poirier, A. Pandey, Luis Grave-de-Peralta, 2021, 2102.04463.

Rovibrational spectroscopy calculations of neon dimer using a phase space truncated Weyl-Heisenberg wavelet basis.

B. Poirier, Richard Lombardini, 2006, The Journal of chemical physics.

Phase space optimization of quantum representations: Three-body systems and the bound states of HCO

J. Light, B. Poirier, 2001 .

Wigner–Weyl correspondence and semiclassical quantization in spherical coordinates

B. Poirier, 1999 .

Efficient preconditioning scheme for block partitioned matrices with structured sparsity

Bill Poirier, B. Poirier, 2000, Numer. Linear Algebra Appl..

USING DISCRETE VARIABLE REPRESENTATION PATH INTEGRAL MONTE CARLO WITH METROPOLIS SAMPLING TO COMPUTE GROUND STATE WAVEFUNCTIONS

Bill Poirier, Yingsheng Xiao, B. Poirier, 2007 .

Hitting the Trifecta: How to Simultaneously Push the Limits of Schrödinger Solution with Respect to System Size, Convergence Accuracy, and Number of Computed States.

B. Poirier, János Sarka, 2021, Journal of chemical theory and computation.

An algorithm to find (and plug) "holes" in multi-dimensional surfaces.

B. Poirier, A. Pandey, 2020, The Journal of chemical physics.

PARALLEL SUBSPACE ITERATION METHOD FOR THE SPARSE SYMMETRIC EIGENVALUE PROBLEM

Bill Poirier, Richard Lombardini, B. Poirier, 2006 .

Eigenspectra calculations using Cartesian coordinates and a rotational symmetry adapted Lanczos method

B. Poirier, J. Montgomery, 2003 .

Quantum Physics, Mini Black Holes, and the Multiverse: Debunking Common Misconceptions in Theoretical Physics

B. Poirier, J. Terning, Y. Nomura, 2018 .

Exploiting both C3v symmetry and sparsity in vibrational calculations for methanelike molecules

B. Poirier, 2003 .

Flux continuity and probability conservation in complexified Bohmian mechanics

B. Poirier, 2008, 0803.0193.

Towards a Probabilistic Foundation of Relativistic Quantum Theory: The One-Body Born Rule in Curved Spacetime

B. Poirier, Maik Reddiger, 2020, 2012.05212.

On neglecting Coriolis and related couplings in first-principles rovibrational spectroscopy: considerations of symmetry, accuracy, and simplicity

V. Szalay, A. Császár, B. Poirier, 2020, Scientific Reports.

Phase Space Optimization of Quantum Representations: Non-Cartesian Coordinate Spaces

B. Poirier, 2001 .

ROVIBRATIONAL BOUND STATES OF THE Ar2Ne COMPLEX

B. Poirier, Benhui Yang, 2013 .

Direct and accurate calculation of dwell times and time delays using quantum trajectories

B. Poirier, G. Parlant, Y. Scribano, 2022, Physics Letters A.

Classical-like trajectory simulations for accurate computation of quantum reactive scattering probabilities

B. Poirier, G. Parlant, Yong-Cheng Ou, 2012 .

Bipolar Reaction Path Hamiltonian Approach for Reactive Scattering Problems.

Bill Poirier, Jeremy B Maddox, B. Poirier, 2011, Journal of chemical theory and computation.

Reconciling semiclassical and Bohmian mechanics. VI. Multidimensional dynamics.

B. Poirier, 2008, The Journal of chemical physics.

DEVELOPMENT AND NUMERICAL ANALYSIS OF "BLACK-BOX" COUNTERPROPAGATING WAVE ALGORITHM FOR EXACT QUANTUM SCATTERING CALCULATIONS

B. Poirier, 2007, 0803.0309.

Quantum trajectory calculations for bipolar wavepacket dynamics in one dimension.

B. Poirier, G. Parlant, Kisam Park, 2008, The Journal of chemical physics.

INVITED ARTICLE An action principle for complex quantum trajectories

B. Poirier, D. Tannor, 2012 .

Trajectory-based Theory of Relativistic Quantum Particles

B. Poirier, 2012, 1208.6260.

Algebraically Self-Consistent Quasiclassical Approximation on Phase Space

B. Poirier, 2000 .