PNO-CI and PNO-CEPA studies of electron correlation effects

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Tables of experimental dipole moments

1963 • 1,571 citations

Zahlenwerte und Funktionen

1965 • 1,145 citations

The Van Der Waals Forces in Gases

1931 • 1,098 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

Perturbation Theory for the Fock-Dirac Density Matrix

1962 • 780 citations

The polarization of laser light scattered by gases

1966 • 741 citations

Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed-Shell Systems

1965 • 740 citations

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

Self-Consistent Perturbation Theory. I. Finite Perturbation Methods

1968 • 442 citations

Ionization energies of water from PNO-CI calculations

2009 • 402 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

Hyperfine Structure Constants of HF and DF

1970 • 324 citations

Perturbed Hartree–Fock Theory. I. Diagrammatic Double-Perturbation Analysis

1969 • 289 citations

The quadrupole moment of the carbon dioxide molecule

1963 • 225 citations

Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne

1968 • 210 citations

PNO-CI and CEPA studies of electron correlation effects

1974 • 188 citations

Polarizability Anisotropy of Hydrogen Fluoride

1972 • 174 citations

Computed Ground-State Properties of FH and CH

1967 • 160 citations

Multipole Polarizabilities and Shielding Factors from Hartree-Fock Wave Functions

1965 • 158 citations

Perturbed Hartree—Fock Calculations. III. Polarizability and Magnetic Properties of the HF Molecule

1964 • 131 citations

Higher Polarizabilities of Linear Molecules

1967 • 122 citations

Electric Polarizability of Some Diatomic Molecules

1963 • 121 citations

Nuclear Corrections to Electronic Expectation Values: Zero-Point Vibrational Effects in the Water Molecule

1968 • 115 citations

The electrostatic calculation of molecular energies - II. Approximate wave functions and the electrostatic method

1954 • 115 citations

Even-tempered atomic orbitals. III. Economic deployment of Gaussian primitives in expanding atomic SCF orbitals

1973 • 111 citations

Zero-Point Vibrational Corrections to One-Electron Properties of the Water Molecule in the Near-Hartree—Fock Limit

1971 • 109 citations

Magnetische Effekte in zweiatomigen ¹Σ‐Molekülen

1961 • 106 citations

Molekülstruktur

1967 • 96 citations

Physical properties of many-electron atomic systems evaluated from analytical Hartree-Fock functions

1968 • 93 citations

Correlation energies for AH_nmolecules and cations

1975 • 92 citations

The multipole long-range (Van der Waals) interaction coefficients for neon, argon, krypton and xenon

1974 • 92 citations

Ab initio calculations on intermolecular forces. III. Effect of electron correlation on the hydrogen bond in the hydrofluoric acid dimer

1974 • 89 citations

Hyperpolarizabilities of Some Polar Diatomic Molecules

1967 • 86 citations

Hyperpolarizabilities for Hartree-Fock Atoms

1972 • 84 citations

Coupled Multiconfigurational Self-Consistent-Field Method for Atomic Dipole Polarizabilities. II. Application to the First-Row Atoms, Lithium through Neon

1973 • 83 citations

Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. III. The Isoelectronic 10-Electron Series

1966 • 74 citations

Polarizabilities and Hyperpolarizabilities of Small Polyatomic Molecules in the Uncoupled Hartree–Fock Approximation

1971 • 74 citations

A study of the ground state wave function of carbon monoxide

1970 • 71 citations

SCF-MO's and Molecular Properties of Methane

1968 • 65 citations

Atomic Dipole Polarizabilities from the Uncoupled Hartree-Fock Approximation

1964 • 64 citations

Electric polarizability of polyatomic molecules

1967 • 58 citations

SCF MO's and Molecular Properties of H₂O

1970 • 54 citations

Fully Coupled Hartree-Fock Calculations of the Refractive Index, Dynamic Polarizability, and Verdet Coefficients of Helium, Beryllium, and Neon

1968 • 52 citations

Brueckner-Goldstone Many-Body Theory for Dynamic Polarizabilities: Application to Ne

1970 • 50 citations

Optical Properties of Atoms and Diatomic Molecules Calculated by a Time-Dependent Coupled Hartree–Fock Method

1970 • 48 citations

Electric Dipole Polarizabilities and Dipole Shielding Factors of Neon, Magnesium and Argon Atoms from the Hartree-Fock Wave Functions

1969 • 42 citations

Neon polarizability and C (6) coefficient from oscillator strength distribution

1973 • 38 citations

The calculation of the electric dipole moment of CO

2009 • 37 citations

Perturbed SCF MO calculations. Electrical polarizability and magnetic susceptibility of HF, H2O, NH3 and CH4

1967 • 28 citations

Ammonia Adsorption on Metal-Promoted Catalyst Systems

1964 • 18 citations

Electric-Dipole Polarizability of H2O and NH3

1968 • 18 citations

Atomic Calculations. II. Polarizabilities and London Force Constants for F—, Ne, and Na+

1963 • 17 citations