The Cl + Bk extrapolation method. Application to hydrogen fluoride
- 1 September 1979
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 42 (3) , 249-258
- https://doi.org/10.1016/0301-0104(79)80072-5
Abstract
No abstract availableThis publication has 20 references indexed in Scilit:
- Efficient methods for configuration interaction calculationsChemical Physics, 1978
- A perturbation theory calculation on the 1ππ* state of formamideThe Journal of Chemical Physics, 1978
- Polarization CI wavefunctions: the valence states of the NH radicalThe Journal of Chemical Physics, 1976
- Comparison of configuration interaction expansions based on different orbital transformationsInternational Journal of Quantum Chemistry, 1976
- Efficient generation of configuration interaction matrix elementsChemical Physics Letters, 1975
- Energy extrapolation in CI calculationsTheoretical Chemistry Accounts, 1975
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974
- Electronic properties of CH4 by CI computationsChemical Physics Letters, 1974
- An application of perturbation theory ideas in configuration interaction calculationsInternational Journal of Quantum Chemistry, 1968
- Natural Orbitals in the Quantum Theory of Two-Electron SystemsPhysical Review B, 1956