A b i n i t i o calculations on C2, Si2, and SiC

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Configuration interaction calculations on the nitrogen molecule

1974 • 2,810 citations

General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atoms

1987 • 1,086 citations

A new determinant-based full configuration interaction method

1984 • 576 citations

Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitives

1979 • 477 citations

A modified coupled pair functional approach

1986 • 333 citations

A new direct CI method for large CI expansions in a small orbital space

1984 • 251 citations

The choice of Gaussian basis sets for molecular electronic structure calculations

1981 • 207 citations

Theoretical prediction of the potential curves for the lowest-lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the a b i n i t i o MRD-CI method

1980 • 152 citations

Mass Spectrometric Study of the Systems Boron—Carbon and Boron—Carbon—Silicon

1964 • 130 citations

Accurate a b i n i t i o calculations which demonstrate a 3Πu ground state for Al2

1987 • 121 citations

The impact of higher polarization basis functions on molecular ab initio results. I. The ground state of F2

1985 • 118 citations

Full CI benchmark calculations on N2, NO, and O2: A comparison of methods for describing multiple bonds

1987 • 91 citations

The impact of higher polarization basis functions on molecular AB initio results II. The ground states of CO, N2, O2, and F2

1985 • 77 citations

Theoretical D0 for NH(X 3Σ−)

1987 • 51 citations

Potential energy curves and transition moments for the low-lying electronic states of the Si2 molecule

1982 • 50 citations

A theoretical study of the isovalent diatomics carbon dimer, silicon dimer, and silicon monocarbide

1986 • 30 citations

Can the lowest two electronic states of Si2 be ordered?

1987 • 23 citations

The rotational spectra of HOCO(+), HOCS(+), HSCO(+), and HSCS(+)

1985 • 22 citations