Calculation of ionization potentials from density matrices and natural functions, and the long-range behavior of natural orbitals and electron density

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Tables of Atomic Functions

1965 • 551 citations

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

1966 • 422 citations

MC-SCF. I. The multi-configuration self-consistent-field method

1973 • 330 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

Long-Range Behavior of Hartree-Fock Orbitals

1969 • 232 citations

Eigenvalues of Density Matrices

1961 • 130 citations

Multiconfiguration Self-Consistent-Field Theory for Localized Orbitals. I. The Orbital Equations

1972 • 73 citations