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

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Self-consistent perturbation theory of diamagnetism

1974 • 4,182 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Perturbation Theory for the Fock-Dirac Density Matrix

1962 • 780 citations

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

1965 • 740 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

Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

1963 • 502 citations

Self-Consistent Perturbation Theory. I. Finite Perturbation Methods

1968 • 442 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Self-Consistent Perturbation Theory. I. General Formulation and Some Applications

1966 • 219 citations

A comparison of different contractions for molecular calculations with gaussian-type functions

1968 • 196 citations

Variable bases in SCF MO calculations

1970 • 128 citations

Theory of Nuclear Magnetic Shielding in Diatomic Molecules

1964 • 95 citations

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

1971 • 74 citations

Ab Initio Studies of Small Molecules Using 1s Gaussian Basis Functions. I. Exploratory Calculations

1967 • 68 citations

A new solution for the gauge origin problem

1975 • 56 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 47 citations

Theoretical studies of heavy-atom magnetic shielding in some small polyatomic molecules

1974 • 39 citations

Calculations of Hartree-Fock polarizabilities for some simple atoms and molecules, and their practicality

1973 • 35 citations

Ab initio calculation of magnetic shielding with a finite perturbation method

1976 • 16 citations

p-character and the polarizability of molecular hydrogen

1970 • 7 citations