Theoretical study of the molecular ions SiH−5 and SiH−3

Canonical Configurational Interaction Procedure

1960 • 1,309 citations

Ground State of Two-Electron Atoms

1958 • 1,095 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

Analytical Self-Consistent Field Functions for the Atomic Configurations<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mrow><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></…

1960 • 422 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

Molecular orbital theory of pentacoordinate phosphorus

1972 • 262 citations

Electronic Structure and Inversion Barrier of Ammonia

1970 • 213 citations

Pyramidale Inversion

1970 • 122 citations

Direct determination of pair natural orbitals

1975 • 105 citations

Approximation of d- and f-type orbitals by spherical gaussian functions

1973 • 89 citations

Electronic structure of phosphorus pentafluoride and polytopal rearrangement in phosphoranes

1973 • 77 citations

Electronic structure of PH5 and intramolecular ligand exchange in phosphoranes. Model studies

1972 • 68 citations

Ab-initio calculations on small hydrides including electron correlation

1973 • 66 citations

The influence of electron correlation on reaction energies. The dimerization energies of BH3 and LiH

1974 • 56 citations

Anab initioSCF-LCAO-MO study of the phosphorus pyramidal inversion process in phosphine

1972 • 50 citations

Electronic structure of silane hydride anion (SiH5-) and model studies of inter- and intramolecular exchange in pentacoordinate silicon species. Ab initio investigation

1973 • 48 citations

The influence of electron correlation on reaction energies. The dimerization energies of BH3 and LiH

1974 • 41 citations

Absolute rate of association of borane molecules

1970 • 36 citations

Ab initio self-consistent field calculation of the heats of formation of B2H6 and B2H7

1972 • 29 citations