Unlinked cluster effects in molecular electronic structure. III. Potential curve for the CN− ion and the adiabatic electron affinity of CN

Advanced inorganic chemistry

1999 • 14,227 citations

Note on an Approximation Treatment for Many-Electron Systems

1934 • 13,955 citations

Spectra of diatomic molecules

1950 • 5,975 citations

The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices

1975 • 2,416 citations

An improved eigenvalue corrector formula for solving the Schrödinger equation for central fields

1961 • 1,079 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

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

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

1975 • 529 citations

A new method for large-scale Cl calculations

1972 • 507 citations

Ionization energies of water from PNO-CI calculations

2009 • 402 citations

Theory of electron affinities of small molecules

1973 • 285 citations

PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom

1975 • 277 citations

Electron correlation in small molecules

1976 • 181 citations

Photoionization of HCN: The Electron Affinity and Heat of Formation of CN

1969 • 170 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

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

1974 • 126 citations

Direct determination of pair natural orbitals

1975 • 105 citations

The coupled-pair approximation in a basis of independent-pair natural orbitals

1976 • 103 citations

Introduction to the electron theory of small molecules

1976 • 101 citations

PNO–CI (pair-natural-orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. IV. The molecules N2, F2, C2H2, C2H4, and C2H6

1975 • 85 citations

Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules

1978 • 79 citations

Theoretical studies of molecular ions. Ionization potentials of CN− and BO−

1976 • 68 citations

A b i n i t i o force constants for the HCN molecule: SCF and CI results

1975 • 67 citations

A Hartree-Fock SCF calculation of the activation energies for two SN2 reactions

1971 • 54 citations

Hartree–Fock electron affinity of the CN radical

1977 • 30 citations

Unlinked cluster effects in molecular electronic structure. II. Pair correlations in the molecules HCN and HNC

1978 • 26 citations

The calculation of ionisation potentials by perturbation theory coupled with configuration interaction

1977 • 17 citations

Comment on ’’Theoretical studies of molecular ions. Ionization potential of CN− and BO−’’

1977 • 16 citations

Theoretical study of the N+2 molecular ion

1976 • 12 citations

The calculation of ionization potentials by configuration interaction and perturbation methods

1979 • 3 citations