Refined a b i n i t i o calculation of the potential energy surface of the He–H2 interaction with special emphasis to the region of the van der Waals minimum

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Methods of Electronic Structure Theory

1977 • 2,725 citations

Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another

1960 • 1,204 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Quantum scattering theory of rotational relaxation and spectral line shapes in H2–He gas mixtures

1973 • 365 citations

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

1976 • 352 citations

Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms

1976 • 326 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

1975 • 309 citations

Finite perturbation calculation for the static dipole polarizabilities of the atoms Na through Ca

1976 • 252 citations

Many body perturbation calculations and coupled electron pair models

1979 • 248 citations

A simple theoretical model for the van der Waals potential at intermediate distances. I. Spherically symmetric potentials

1977 • 222 citations

A Variation-Perturbation Approach to the Interaction of Radiation with Atoms and Molecules

1963 • 209 citations

Helium-Atom–Hydrogen-Molecule Potential Surface Employing the LCAO–MO–SCF and CI Methods

1970 • 203 citations

Interaction Potential between He and H2

1965 • 197 citations

Comparisons of Dispersion Force Bounding Methods with Applications to Anisotropic Interactions

1971 • 188 citations

Natural states of interacting systems and their use for the calculation of intermolecular forces

1979 • 173 citations

A simple theoretical model for the van der Waals potential at intermediate distances. II. Anisotropic potentials of He–H2 and Ne–H2

1978 • 165 citations

Dynamic multipole polarizabilities of H2 and He and long-range interaction coefficients for H2-H2,H2He and He-He

1976 • 160 citations

Interatomic correlation energy and the van der Waals attraction between two helium atoms

1971 • 156 citations

Ab InitioCalculation of the Helium-Helium<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>Σ</mml:mi></mml:mrow><mml:mrow><mml:mi>g</mml:mi></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>+</mml:mo></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>Potential at Intermediate and Large Separations

1970 • 145 citations

Direct Calculation of Approximate Natural Orbitals and Natural Expansion Coefficients of Atomic and Molecular Electronic Wavefunctions. II. Decoupling of the Pair Equations and Calculation of the Pair Correlation Energies for the Be and LiH Ground States

1968 • 143 citations

A theory of self-consistent electron pairs. Computational methods and preliminary applications

1976 • 125 citations

Resolved single‐quantum rotational excitation in HD+He collisions: First results from a unique pulsed molecular beam apparatus

1977 • 110 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Semi-classical calculations of rotational/vibrational transitions in He-H2

1975 • 99 citations

Interaction potential for He/H2 including the region of the van der waals minimum

1973 • 93 citations

Structure and properties of van der Waals molecules

1975 • 89 citations

Determining anisotropic intermolecular potentials for van der Waals molecules

1977 • 86 citations

Cross sections and rate constants for low-temperature 4He–H2 vibrational relaxation

1976 • 84 citations

Interaction Energy between a Helium Atom and a Hydrogen Molecule

1963 • 81 citations

Orientation-Dependent van der Waals Coefficients for Various Species in Molecular Hydrogen

1970 • 72 citations

Intermolecular-Potential-Energy Curves—Theory and Calculations on the Helium—Helium Potential

1966 • 65 citations

Spin–Lattice Relaxation and the Anisotropic Part of the He–H2 Intermolecular Potential

1968 • 60 citations

Interaction potential for He-H2 in the region of the van der Waals minimum

1975 • 58 citations

Measurements of absolute integral total cross sections of He—H2 and the interaction potential

1972 • 57 citations

Potential surface dependence of vibrationally inelastic collisions between He and H2

1974 • 57 citations

Ab initio calculation of the helium-helium X1Σg+ potential at intermediate and large separations. II. Changes in intra-atomic correlation energy

1973 • 55 citations

A p r i o r i low temperature vibrational relaxation rates for He–H2

1975 • 53 citations

Ab-initio calculation of van der waals constants (C6, C8, C10) for two-valence-electron atoms, including correlation effects

1976 • 52 citations

An SCF and MRD-CI study of the ground and excited states of the He + H2 system. I. Calculated potential surfaces

1978 • 51 citations

Extension of a HeH2 potential energy surface

1977 • 43 citations

Convergence of the elastic and the inelastic collision cross sections in the coupled-states and the close-coupling methods

1975 • 42 citations

The influence of electron correlation on reaction energies. The dimerization energies of BH3 and LiH

1974 • 41 citations

Vacuum-Ultraviolet Spectra of Cyclic Ketones

1965 • 41 citations

Meldola Medal Lecture. Molecular collisions and the semiclassical approximation

1976 • 39 citations

Nuclear Magnetic Relaxation in Hydrogen—Rare Gas Mixtures

1972 • 37 citations

Design of basis sets for precise intermolecular force computation. Investigation of the He2 potential curve using CEPA-PNO correlated wavefunctions.

1979 • 36 citations

Quantum chemical calculation of intermolecular interaction potentials, mainly of van-der-Waals type

1977 • 35 citations

Infrared spectrum of the HD–Ar van der Waals complex

1974 • 34 citations

Interaction Potential between Ground State Helium Atom and the B 1Σu+ State of the Hydrogen Molecule

1972 • 30 citations

Use of semiclassical collision theory to compare analytic fits to the interaction potential for vibrational excitation of H2 by He

1975 • 27 citations

Potential energy surface for the hydrogen molecule-helium system

1974 • 26 citations

Natural states of interacting systems and their use for the calculation of intermolecular forces.

1978 • 26 citations

Measurements of the influence of the angular dependent intermolecular potential on the total collision cross section for molecular hydrogen and various scattering partners

1975 • 23 citations

High order correlation effects in intermolecular forces

1974 • 18 citations

The angular dependent potential for the H2—inert gas systems from total collision cross section measurements with state selected molecules

1976 • 18 citations

Natural states of interacting systems and their use for the calculation of intermolecular forces. II. Natural states in the asymptotic 1/R expansion

1978 • 16 citations

Mixed-pole terms in the anisotrophy of the long-range interaction coefficients for H2He and H2H2

1977 • 14 citations

On analytic fits to the Gordon-Secrest potential energy surface for He–H2: A reply

1974 • 10 citations

Dipole properties of the metastable 23S state of helium

2009 • 5 citations

One-term approximations to oscillator strength sums

1978 • 5 citations