Legitimate calculation of first-order molecular properties in the case of limited CI functions. Dipole moments

Methods of Electronic Structure Theory

1977 • 2,725 citations

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

1976 • 635 citations

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

1968 • 626 citations

A new method for large-scale Cl calculations

1972 • 507 citations

Many-Body Perturbation Theory Applied to Atoms

1964 • 492 citations

Self-Consistent Perturbation Theory. I. Finite Perturbation Methods

1968 • 442 citations

Applications of Electronic Structure Theory

1977 • 418 citations

Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods

1980 • 386 citations

Hyperfine Structure Constants of HF and DF

1970 • 324 citations

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

1969 • 289 citations

Molecular hyperpolarizabilities. I. Theoretical calculations including correlation

1979 • 232 citations

Self-consistent perturbation theory

1977 • 226 citations

Multiple substitution effects in configuration interaction calculations

1978 • 176 citations

Molecular electric polarizabilities. Electronic-field-variant (EFV) gaussian basis set for polarizability calculations

1977 • 168 citations

Dipole Moment Function and Vibration—Rotation Matrix Elements for CO

1966 • 153 citations

An accurateab initiostudy of the multipole moments and polarizabilities of methane

1979 • 136 citations

Electric Dipole Moment of SiO and GeO

1970 • 116 citations

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

1954 • 115 citations

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

1968 • 115 citations

Multiconfiguration self-consistent-field calculation of the dipole moment function of CO(X 1Σ+)

1974 • 113 citations

First‐order properties and the Hellmann–Feynman theorem in the case of a limited <scp>CI</scp> wave function

1979 • 109 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. I. Closed-Shell Molecules

1971 • 102 citations

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. II. Applications to Limited Basis-Set SCF–MO Wavefunctions

1968 • 79 citations

A study of the ground state wave function of carbon monoxide

1970 • 71 citations

Molecular electric polarizabilities

1977 • 68 citations

Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems

1977 • 66 citations

Dipole moment matrix elements for the 1-0, 2-0, and 3-0 vibration-rotation bands of diatomic molecules

1969 • 63 citations

Second-order correlation correction to the coupled Hartree-Fock polarizability of Be

1978 • 56 citations

Static dipole polarizability of the fluoride ion

1979 • 54 citations

Ab initio theory of the polarizability and polarizability derivatives in H2S

1979 • 50 citations

Numerical coupled hartree-fock parallel polarizabilities for FH and CO

1977 • 44 citations

Coupled multiconfiguration self-consistent field (MC SCF) perturbation theory

1975 • 44 citations

Molecular electric polarizabilities

1978 • 39 citations

The calculation of second-order molecular properties at the configuration interaction level of accuracy

1980 • 36 citations

Corrections to molecular one-electron properties using møller-plesset perturbation theory

1980 • 33 citations

Variable basis sets in perturbation theory: Numerical finite perturbation versus analytic approach

1979 • 21 citations

Dipole moments and polarizabilities in excited singlet states and the generalized Hellmann-Fernman theorem

1969 • 13 citations

Generalized perturbed Hartree–Fock theory

1980 • 13 citations