Dissociation potential for breaking a CH bond in methane

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

1980 • 15,793 citations

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

1984 • 7,939 citations

A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach

1980 • 3,584 citations

Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

1981 • 2,054 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Current status of transition-state theory

1983 • 774 citations

Evaluation of molecular integrals over Gaussian basis functions

1976 • 753 citations

Generalized valence bond description of bonding in low-lying states of molecules

1973 • 490 citations

Comparative Study of Potential Energy Functions for Diatomic Molecules

1957 • 477 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods

1980 • 386 citations

Comparative Study of Empirical Internuclear Potential Functions

1962 • 367 citations

Variational unimolecular rate theory

1983 • 185 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Comparison of the convergence characteristics of some iterative wave function optimization methods

1982 • 159 citations

Contribution of atomic orbital integrals to symmetry orbital integrals

1973 • 148 citations

Variational transition state theory calculations for an atom–radical reaction with no saddle point: O+OH

1983 • 137 citations

Theoretical study of curve crossing: ab initio calculations on the four lowest 1Σ+ states of LiF

1974 • 120 citations

Spectroscopy and dynamics of the isolated CH chromophore in CD3H: Experiment and theory

1984 • 117 citations

Current status of transition-state theory

1983 • 81 citations

Multireference configuration interaction treatment of potential energy surfaces: symmetric dissociation of H2O in a double-zeta basis

1984 • 78 citations

The low-lying states of hydrogen fluoride: Potential energy curves for the x 1Σ+, 3Σ+, 3Π, and 1Π states

1976 • 78 citations

Ab initio potential energy curve for CH bond dissociation in methane

1982 • 69 citations

Two-configuration, self-consistent field theory

1966 • 56 citations

The ground-state potential curve for F2

1981 • 52 citations

Fourth-order MB-RSPT calculations of the spectroscopic constants and potential energy curve of F2

1983 • 37 citations

Deleted Work

1955 • 0 citations