Calculation of vertical ionization potentials by configuration interaction

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Configuration interaction calculations on the nitrogen molecule

1974 • 2,810 citations

Many-Body Problem for Strongly Interacting Particles. II. Linked Cluster Expansion

1955 • 757 citations

One- and two-electron integrals over cartesian gaussian functions

1978 • 617 citations

Size consistency in the dilute helium gas electronic structure

1977 • 596 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

Photoelectron spectra and valence shell orbital structures of groups V and VI hydrides

1972 • 336 citations

Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion

1972 • 248 citations

On the accuracy of ionization potentials calculated by Green’s functions

1977 • 187 citations

High resolution molecular photoelectron spectroscopy II. Water and deuterium oxide

1968 • 185 citations

Improved calculations of ionization potentials of closed-shell molecules

1973 • 177 citations

A b i n i t i o SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree–Fock limit

1975 • 167 citations

On the breakdown of the Koopmans' theorem for nitrogen

1973 • 166 citations

Perturbation corrections to Koopmans' theorem. I. Double-zeta Slater-type-orbital basis

1974 • 126 citations

Photoelectron and electron impact spectrum of HCN

1975 • 92 citations

Perturbation corrections to Koopmans' theorem. II. A study of basis set variation

1974 • 82 citations

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

1974 • 64 citations

Critical analysis of equations-of-motion—Green's function method: Ionization potentials of N2

1977 • 43 citations

Electronic states of ketene radical cation

1977 • 41 citations

Photoabsorption in formaldehyde

1977 • 38 citations

Application of many‐body green's functions to the calculation of molecular ionization potentials

1975 • 37 citations

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

1975 • 36 citations

On Rayleigh-Schrödinger and green's-function calculations of ionization potentials and electron affinities

1977 • 20 citations

How to determine vertical ionization potentials from photoelectron spectra

1975 • 20 citations

Determination of ionization potentials from photoelectron spectra

1973 • 20 citations

Perturbation corrections to Koopmans' theorem. IV. Energy‐shifted perturbation theory

1977 • 20 citations

Theoretical study of the N+2 molecular ion

1976 • 12 citations