CEPA calculations on open-shell molecules. I. Outline of the method

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

1980 • 3,584 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Self-consistent field theory of the electron spin distribution in π-electron radicals

1960 • 679 citations

Size consistency in the dilute helium gas electronic structure

1977 • 596 citations

Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions

1976 • 352 citations

The Method of Configuration Interaction

1977 • 319 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. I. Outline of the method for closed-shell states

1975 • 309 citations

Electronic Wavefunctions for Atoms. III. Partition of Degenerate Spaces and Ground State of C

1970 • 260 citations

Many body perturbation calculations and coupled electron pair models

1979 • 248 citations

Classification of configurations and the determination of interacting and noninteracting spaces in configuration interaction

1973 • 220 citations

Many-Electron Theory of Nonclosed-Shell Atoms and Molecules. I. Orbital Wavefunction and Perturbation Theory

1966 • 203 citations

PNO-CI and CEPA studies of electron correlation effects

1974 • 188 citations

Violation of Hund's rule by spin polarization in molecules

1978 • 129 citations

A theory of self-consistent electron pairs. Computational methods and preliminary applications

1976 • 125 citations

Pair Correlation Theories

1977 • 115 citations

Direct determination of pair natural orbitals

1975 • 105 citations

Ab initio calculations on small hydrides including electron correlation

1970 • 105 citations

Note on open shell restricted SCF calculations for rotation barriers about C-C double bonds: Ethylene and allene

1977 • 101 citations

Configuration Expansion by Means of Pseudonatural Orbitals

1977 • 93 citations

Theoretical Study of the LiH Molecule

1968 • 92 citations

Electronic Splitting between the 2B1 and 2A1 States of the NH2 Radical

1971 • 88 citations

Inter- and Intra-Atomic Correlation Energies and Theory of Core-Polarization

1960 • 83 citations

Ab initio calculations on small hydrides including electron correlation

1973 • 74 citations

Ab initio calculations on small hydrides including electron correlation

1968 • 74 citations

Diradicals

1973 • 64 citations

HARTREE–FOCK WAVE FUNCTIONS FOR EXCITED STATES: THE 2 ¹S STATE OF HELIUM

1965 • 46 citations

The N² problem in molecular <scp>CI</scp> calculations

1976 • 33 citations

On the dependence of the energy given by a <scp>CI</scp> limited to double substitutions with respect to the number of electrons

1977 • 21 citations

Self-consistent electron pair theory for certain types of open shell wavefunctions

1977 • 18 citations