Analytic gradients from correlated wave functions via the two-particle density matrix and the unitary group approach

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

1979 • 2,075 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Methods of Molecular Quantum Mechanics

1971 • 1,655 citations

Reduced Density Matrices in Quantum Chemistry

1976 • 700 citations

The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications

1979 • 363 citations

Gradient techniques for open-shell restricted Hartree–Fock and multiconfiguration self-consistent-field methods

1979 • 199 citations

Energy gradient in a multi-configurational SCF formalism and its application to geometry optimization of trimethylene diradicals

1979 • 154 citations

The Loop-Driven Graphical Unitary Group Approach: A Powerful Method for the Variational Description of Electron Correlation

1980 • 153 citations

A study of the ground state wave function of carbon monoxide

1970 • 71 citations

Exact formula for the gradient of the CI potential energy hypersurface

1978 • 24 citations