P. W. Langhoff

发表

EXPERIMENTAL AND THEORETICAL STUDY OF THE BOUND-FREE $G^{2}\Sigma (4p) \leftarrow X^{2}\Pi (3p)$ TRANSITION OF AlAr

Mitchio Okumura, James M. Spotts, Chi-Kin Wong, 2000 .

Molecular astrophysics: State of the art and future directions; Proceedings of the Advanced Research Workshop, Bad Windsheim, West Germany, July 8-14, 1984

P. W. Langhoff, G. Diercksen, W. Huebner, 1985 .

Low-lying electronic excitations of the green fluorescent protein chromophore

Volkhard Helms, P. W. Langhoff, V. Helms, 2000 .

Moment-theory investigations of photoabsorption and dispersion profiles in atoms and ions

James S. Sims, Frank Weinhold, P. W. Langhoff, 1976 .

PADE APPROXIMANTS TO THE NORMAL DISPERSION EXPANSION OF DYNAMIC POLARIZABILITIES.

Martin Karplus, P. W. Langhoff, M. Karplus, 1970 .

Atomic Spectral Methods for Ab Initio Molecular Electronic Energy Surfaces: Transitioning From Small-Molecule to Biomolecular-Suitable Approaches.

P. W. Langhoff, Jiabo Li, M. Ben‐Nun, 2016, The journal of physical chemistry. B.

Moment theory bounds on long-range casimir—polder interactions

P. W. Langhoff, 1971 .

Sum-rule moment bounds on long-range van der waals potentials

P. W. Langhoff, 1971 .

Chapter 2 Application of Padé Approximants to Dispersion Force and Optical Polarizability Computations

P. W. Langhoff, M. Karplus, 1970 .

Atomic-pair theorem for universal matrix representatives of molecules and atomic clusters in non-relativistic Born-Oppenheimer approximation

P. W. Langhoff, J. Boatz, J. Mills, 2018, Journal of Mathematical Physics.

Quantum-mechanical definition of atoms and their mutual interactions in Born-Oppenheimer molecules

P. W. Langhoff, J. Boatz, J. Mills, 2018, Physical Review A.

Quantum-Mechanical Definition of Atoms and Chemical Bonds in Molecules

P. W. Langhoff, G. Gallup, J. Boatz, 2015 .

Photoabsorption in molecular nitrogen: A moment analysis of discrete‐basis‐set calculations in the static‐exchange approximation

P. W. Langhoff, C. Bender, T. Rescigno, 1978 .

Photoexcitation and ionization in carbon dioxide: Theoretical studies in the separated-channel static-exchange approximation

P. W. Langhoff, N. Padial, G. Csanak, 1981 .

On the Brueckner and Goldstone forms of the linked-cluster theorem

Antonio J. Hernández, P. W. Langhoff, 2009 .

Theoretical studies of photoexcitation and ionization in hydrogen sulfide

P. W. Langhoff, G. Diercksen, 1987 .

Approximations to Hartree—Fock Perturbation Theory

P. W. Langhoff, M. Karplus, R. P. Hurst, 1966 .

Electric Dipole Hyperpolarizabilities for S-State Atoms and Ions

P. W. Langhoff, R. P. Hurst, J. Lyons, 1966 .

Absolute Cross Sections for Molecular Photoabsorption, Partial Photoionization, and Ionic Photofragmentation Processes

J. W. Gallagher, P. W. Langhoff, C. E. Brion, 1987 .

Green's function calculations of ground-state correlation energies

Antonio J. Hernández, P. W. Langhoff, 1977 .

On Rayleigh-Schrödinger and green's-function calculations of ionization potentials and electron affinities

Antonio J. Hernández, P. W. Langhoff, 1977 .

Quantum theory of radiative transition phenomena

P. W. Langhoff, W. Heffner, 2009 .

Comment on "Chemistry of Electrons in Pure-Air Hypersonic Wakes"

P. W. Langhoff, 1970 .

Molecular photoionization processes of astrophysical and aeronomical interest

P. W. Langhoff, 1985 .

Photoabsorption in formaldehyde: Intensities and assignments in the discrete and continuous spectral intervals

P. W. Langhoff, T. Rescigno, B. McKoy, 1978 .

Vibrational averaging effects on the valence-shell electron momentum distributions in H2O employing Hartree-Fock-limit wavefunctions

P. W. Langhoff, K. Leung, J. Sheehy, 1989 .

Aspects of Electronic Configuration Interaction in Molecular Photoionization

P. W. Langhoff, 1983 .

Photoexcitation and ionization in molecular oxygen - Theoretical studies of electronic transitions in the discrete and continuous spectral intervals

P. W. Langhoff, B. McKoy, A. Gerwer, 1980 .

Variational approximations to time-dependent Hartree-Fock theory

P. W. Langhoff, S. W. Chan, 1973 .

On π-shell photoionization in molecular nitrogen

P. W. Langhoff, T. Rescigno, B. McKoy, 1977 .

Padé Summation of the Cauchy Dispersion Equation

P. W. Langhoff, M. Karplus, 1969 .

Theoretical studies of photoexcitation and ionization in H2O

P. W. Langhoff, C. Bender, G. Diercksen, 1982 .

Theoretical studies of inner-valence-shell photoionization cross sections in N2 and CO

P. W. Langhoff, S. Langhoff, L. Cederbaum, 1981 .

Low-energy nondipole effects in molecular nitrogen valence-shell photoionization.

P. W. Langhoff, D. Rolles, V. McKoy, 2005, Physical review letters.

New Theoretical Perspectives on Molecular Shape Resonances: Feshbach-Fano Methods for Mulliken Orbital Analysis of Photoionization Continua

P. W. Langhoff, C. Winstead, R. E. Farren, 1990 .

Theoretical studies of photoionization in nitric oxide: Multiplet-specific effects in vibrationally resolved 5σ−1 resonant channels

P. W. Langhoff, M. Hermann, S. Langhoff, 1986 .

Correlation of molecular valence‐ and K‐shell photoionization resonances with bond lengths

P. W. Langhoff, C. Winstead, J. Sheehy, 1989 .

Photoionization of carbon disulfide: theoretical studies of outer-valence-shell partial cross sections

P. W. Langhoff, G. Diercksen, M. Hermann, 1986 .

Valence-shell momentum distributions and ionization energies of carbon disulfide

P. W. Langhoff, C. E. Brion, K. Leung, 1985 .

Photoabsorption in carbon monoxide: Stieltjes–Tchebycheff calculations in the separated‐channel static‐exchange approximation

P. W. Langhoff, N. Padial, G. Csanak, 1978 .

Multipole Polarizabilities and Shielding Factors from Hartree-Fock Wave Functions

P. W. Langhoff, R. P. Hurst, 1965 .

Computational studies of first-Born scattering cross sections. I - Spectral properties of Bethe surfaces. II - Moment-theory approach

P. W. Langhoff, D. Margoliash, 1983 .

Dynamical theory of molecular photoionization: electron ejection kinematics and angular distributions from molecules fixed in space☆

P. W. Langhoff, J. Sheehy, J. C. Arce, 2002 .

On the angular distributions of molecular photoelectrons: dipole cross-sections for fixed-in-space and randomly oriented molecules

P. W. Langhoff, O. Hemmers, D. Lindle, 2001 .

On the angular distributions of electrons photoejected from fixed-in-space and randomly oriented molecules

P. W. Langhoff, O. Hemmers, D. Lindle, 2001 .

Large nondipole effects in the angular distributions of K-shell photoelectrons from molecular nitrogen.

P. W. Langhoff, O. Hemmers, D. Lindle, 2001, Physical review letters.

Nondipolar electron angular distributions from fixed-in-space molecules.

P. W. Langhoff, K. Le Guen, E. Shigemasa, 2002, Physical review letters.

Stieltjes‐integral approximations to elementary dispersion relations

P. W. Langhoff, 2009 .

Explicit Hilbert space representations of Schrödinger states: Definitions and properties of Stieltjes–Tchebycheff orbitals

P. W. Langhoff, M. Hermann, 1983 .

Moment‐theory approximations for nonnegative spectral densities

P. W. Langhoff, C. Corcoran, 1977 .

Stieltjes imaging of fredholm determinants

P. W. Langhoff, W. Reinhardt, 1974 .

Theoretical studies of valence-shell photoexcitation and ionization cross sections in nitric oxide

P. W. Langhoff, M. Hermann, C. Bauschlicher, 1986 .

Experimental and theoretical studies of the valence-shell dipole excitation spectrum of molecular fluorine

P. W. Langhoff, C. E. Brion, A. Hitchcock, 1982 .

Stieltjes-Tchebycheff Moment-Theory Approach to Molecular Photoionization Studies

P. W. Langhoff, 1979 .

Photoabsorption in formaldehyde

P. W. Langhoff, S. Langhoff, C. Corcoran, 1977 .

Stieltjes-integral approximations to photoabsorption and dispersion profiles in atomic helium

P. W. Langhoff, C. Corcoran, J. Sims, 1974 .

Stieltjes imaging of photoabsorption and dispersion profiles

P. W. Langhoff, C. Corcoran, 1974 .

Stieltjes imaging of atomic and molecular photoabsorption profiles

P. W. Langhoff, 1973 .

Moment Theory Bounds for the Second‐Order Optical Properties of Atoms and Molecules

P. W. Langhoff, 1972 .

Photoexcitation and ionization in molecular fluorine - Stieltjes-Tchebycheff calculations in the static-exchange approximation

P. W. Langhoff, T. Rescigno, B. McKoy, 1980 .

Aspects of Time-Dependent Perturbation Theory

P. W. Langhoff, M. Karplus, S. Epstein, 1972 .

Stieltjes methods of Schro¨dinger spectra: Hilbert-space approximations to the discrete and continuum eigenstates of spatially anisotropic Hamiltonian operators

P. W. Langhoff, 1988 .

Theoretical studies of photoionization in nitric oxide: Multiplet-specific spectral shapes of (5σ−1)b3II and (5σ−1) A 1II partial cross sections

P. W. Langhoff, M. Hermann, S. Langhoff, 1984 .

Experimental and theoretical studies of the valence-shell dipole excitation spectrum and absolute photoabsorption cross section of hydrogen fluoride

P. W. Langhoff, C. E. Brion, A. Hitchcock, 1984 .

Stieltjes orbitals for molecular photoionization continua

P. W. Langhoff, M. Hermann, 1981 .

Extended-basis-set rpae calculations of molecular photoionization cross sections: theoretical studies of Vπ-Vσ interaction in molecular nitrogen

P. W. Langhoff, G. R. Williams, 1981 .

Photoexcitation and ionization in acetylene

L. E. Machado, P. W. Langhoff, G. Csanak, 1982 .

Shedding light on the dark and weakly fluorescent states of green fluorescent proteins.

J A McCammon, P. W. Langhoff, J. Mccammon, 1999, Proceedings of the National Academy of Sciences of the United States of America.

Experimental and theoretical studies of the valence-shell photoion1zation cross sections of acetylene: strong autoionization in the (1πu−1) X2Πu partial channel

P. W. Langhoff, A. Bradshaw, B. McKoy, 1981 .

Theoretical studies of partial-channel photoionization cross sections in diatomic and polyatomic molecules

P. W. Langhoff, N. Padial, G. Csanak, 1980 .

Theoretical studies of photoionization in diatomic and polyatomic molecules

P. W. Langhoff, N. Padial, G. Csanak, 2009 .

Feshbach–Fano formalism in Hilbert space: Application to shape resonances in molecular photoionization

P. W. Langhoff, C. Winstead, 1991 .

Photoexcitation and ionization in ozone: Stieltjes-Tchebycheff studies in the separated-channel static-exchange approximation

P. W. Langhoff, P. W. Langhoff, N. Padial, 1981 .

Comparisons of Dispersion Force Bounding Methods with Applications to Anisotropic Interactions

P. W. Langhoff, M. Karplus, R. Gordon, 1971 .

Moment theory bounds on the mean energies of stopping, straggling, and molecular excitation

P. W. Langhoff, A. C. Yates, 1972 .

Bounds for second-order optical properties from quantum-mechanical sum rules and the theory of moments

P. W. Langhoff, 1971 .

Padé Approximants for Two‐ and Three‐Body Dipole Dispersion Interactions

P. W. Langhoff, M. Karplus, 1970 .

Dispersion theorem for the thermodynamic properties of harmonic crystals

P. W. Langhoff, C. Corcoran, 1973 .

Stieltjes-Tchebycheff Moment-Theory Approach to Photoeffect Studies in Hilbert Space

P. W. Langhoff, 1980 .

Polynomial expansions for spectral densities

P. W. Langhoff, C. Corcoran, 1976 .

Moment-trace calculations of atomic and molecular photoabsorption cross sections

P. W. Langhoff, W. Reinhardt, P. M. Johnson, 1977 .

Separation theorem for first‐order pair‐correlation equations

P. W. Langhoff, 2009 .

Lanczos methods for hamiltonian spectra: Hilbert-space approximations to interaction-prepared states

P. W. Langhoff, C. Winstead, T. Gil, 1989 .

Atomic spectral methods for molecular electronic structure calculations.

P. W. Langhoff, J. Boatz, R. Hinde, 2004, The Journal of chemical physics.

Nondipole Resonant X-ray-Raman Spectroscopy: Polarized Inelastic Scattering at the K Edge of Cl2

P. W. Langhoff, D. Lindle, S. Southworth, 1997 .

Theoretical studies of photoionization in C2H2, C2H4, and C2H6: correlation of prominent spectra features with CC and CH antibonding orbitals

P. W. Langhoff, J. Sheehy, R. E. Farren, 1991 .

Angular distribution of molecular-field- and spin-orbit-split sulfur 2p photoemission in OCS: a sensitive probe of the molecular environment

P. W. Langhoff, J. Bozek, N. Berrah, 2000 .

Hilbert-space formulation of Feshbach-Fano methods for atomic and molecular photoionization: Optimal choice of zeroth-order states in shape-resonance channels☆

P. W. Langhoff, C. Winstead, 1988 .

Spectral-product methods for electronic structure calculations

P. W. Langhoff, J. Boatz, J. Mills, 2008 .

Polarized fluorescence spectroscopy of O+2

P. W. Langhoff, D. Ederer, W. T. Hill, 1987 .

Reply to Comment on ‘Nondipole Resonant X-ray-Raman Spectroscopy: Polarized Inelastic Scattering at the K Edge of Cl2,’

P. W. Langhoff, D. Lindle, S. Southworth, 1999 .

Löwdin partitioning in a Lanczos basis: Applications to scattering states

P. W. Langhoff, M. Hermann, 1983 .

Computational studies of first-Born scattering cross sections II. Moment-theory approach

P. W. Langhoff, D. Margoliash, 1983 .

Bounds for van der Waals Coefficients from Padé Approximants

P. W. Langhoff, M. Karplus, 1967 .

Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.

P. W. Langhoff, G. Gallup, M. Ben‐Nun, 2009, The journal of physical chemistry. A.

Spectral properties of minimal-basis-set orbitals: Implications for molecular electronic continuum states

P. W. Langhoff, C. Winstead, 2005 .

Photoabsorption in H2O: Stieltjes-Tchebycheff calculations in the time-dependent Hartree-Fock approximation

P. W. Langhoff, G.R.J. Williams, 1979 .

Tchebycheff-derivative approximations to photoabsorption cross sections in atoms and ions

P. W. Langhoff, C. Corcoran, 1976 .

Photoionization in molecular oxygen

P. W. Langhoff, B. McKoy, A. Gerwer, 2009 .

Casimir-Polder separation theorem for second-order Coulomb energies

P. W. Langhoff, 1973 .

Stieltjes orbitals for molecular photoexcitation and ionization spectra: N → Vσ and N → V π resonance features in CO and H2CO cross sections

P. W. Langhoff, G. Diercksen, M. Hermann, 1984 .

Photoabsorption in atomic lithium

P. W. Langhoff, C. Corcoran, J. Sims, 1977 .

Applications of Löwdin’s Metric Matrix: Atomic Spectral Methods for Electronic Structure Calculations

P. W. Langhoff, J. Boatz, R. Hinde, 2004 .

Applications of the stieltjes-tchebycheff procedure for atomic and molecular photoionization calculations in Hilbert space

P. W. Langhoff, 2009 .

Recent results of resonant refractivity studies for improved flow visualization

P. W. Langhoff, D. Bershader, G. Blendstrup, 1980 .