A study of the ground state wave function of carbon monoxide
- 1 May 1970
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 4 (3), 223-243
- https://doi.org/10.1002/qua.560040302
Abstract
A large configuration‐interaction calculation has been performed to determine the wave function, energy, and molecular properties of CO. The most important configurations were used to obtain the natural geminals and their occupation numbers. A pair‐energy approach to the correlation energy was attempted with results which differ significantly from the configuration‐interaction results.This publication has 17 references indexed in Scilit:
- Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and NePhysical Review B, 1968
- Theoretical Study of the LiH MoleculeThe Journal of Chemical Physics, 1968
- Application of Geminal Methods to Molecular CalculationsPhysical Review B, 1968
- Reduced-Density-Matrix Theory: The Energy Properties of the Be 2-MatrixThe Journal of Chemical Physics, 1968
- Calculation of Natural Orbitals and Wavefunctions by Perturbation TheoryThe Journal of Chemical Physics, 1968
- Ground states of linear molecules: Dissociation energies and dipole moments in the hartree-fock approximationInternational Journal of Quantum Chemistry, 1967
- The calculation of the electric dipole moment of COInternational Journal of Quantum Chemistry, 1967
- Electronic Structure of CO and BFThe Journal of Chemical Physics, 1965
- Structure of Fermion Density MatricesReviews of Modern Physics, 1963
- Isotopic Mass Ratios, Magnetic Moments and the Sign of the Electric Dipole Moment in Carbon MonoxidePhysical Review B, 1958