A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Configuration interaction calculations on the nitrogen molecule

1974 • 2,810 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 1,246 citations

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Report on Notation for the Spectra of Polyatomic Molecules

1955 • 834 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 citations

Direct calculation of ionization potentials of closed-shell atoms and molecules

1973 • 321 citations

All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene

1975 • 163 citations

Configuration interaction calculations on the planar 1(π,π*) state of ethylene

1977 • 124 citations

A new interpretation for the structure of the VN bands of ethylene

1971 • 120 citations

Combined SCF and CI Calculations for the Low-Lying Rydberg and Valence Excited States of Ethylene

1971 • 110 citations

Ground state rotational constants of H2CCD2 and C2D4 and geometry of ethylene

1972 • 104 citations

Theoretical study of the vertical electronic spectrum of O2: Mixing of valence and Rydberg states

1975 • 76 citations

Ionization potentials of ethylene, allene and butatriene by a green function method

1976 • 56 citations

Stability and structure of the C₂H₆⁺ion: investigation of the photoelectron spectrum of ethane below 14 eV usingab initiomethods

1977 • 52 citations

A comparative ab initio study of ethylene, acetylene and benzene

1973 • 47 citations

All-valence-electron Cl calculations on the electronic spectrum of diborane

1975 • 18 citations