On the ionization potentials of N2 by a Green’s function approach

Molecular Photoelectron Spectroscopy

1972 • 1,241 citations

One-body Green's function for atoms and molecules: theory and application

1975 • 554 citations

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions

1966 • 459 citations

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

1973 • 321 citations

A comparison of different contractions for molecular calculations with gaussian-type functions

1968 • 196 citations

Atomic and molecular electronic spectra and properties from the electron propagator

1974 • 187 citations

Improved calculations of ionization potentials of closed-shell molecules

1973 • 177 citations

On the breakdown of the Koopmans' theorem for nitrogen

1973 • 166 citations

Calculation of the vertical ionization potentials of formaldehyde by means of perturbation theory

1971 • 115 citations

Perturbation corrections to Koopmans' theorem. III. Extension to molecules containing Si, P, S, and Cl and comparison with other methods

1974 • 73 citations

Direct Calculation of Natural Orbitals by Many-Body Perturbation Theory: Application to Helium

1969 • 71 citations

A simple explanation of the breakdown of koopmans' theorem for F2 and N2

1974 • 69 citations

Theoretical studies of molecular ions. Vertical ionization potentials of the nitrogen molecule

1974 • 64 citations

Direct calculation of ionization potentials of atoms and molecules: application to Ne

1974 • 49 citations