On the use of partitioning theory in configuration interaction
- 1 April 1977
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 47 (1) , 36-42
- https://doi.org/10.1016/0009-2614(77)85301-3
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- An efficient method for large scale configuration interaction calculationsChemical Physics Letters, 1975
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974
- Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctionsThe Journal of Chemical Physics, 1973
- Accurate ab initio calculation of the BeH molecule. I. The X 2Σ+ and A 2Π statesThe Journal of Chemical Physics, 1973
- Comparison of various CI treatments for the description of potential curves for the lowest three states of O2Chemical Physics Letters, 1972
- Singlet-triplet energy separation, Walsh-Mulliken diagrams, and singlet d-polarization effects in methyleneJournal of the American Chemical Society, 1972
- Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cationsJournal of the American Chemical Society, 1971
- C 2υ Potential Energy Surfaces for Seven Low-Lying States of CH2The Journal of Chemical Physics, 1971
- An application of perturbation theory ideas in configuration interaction calculationsInternational Journal of Quantum Chemistry, 1968
- The spectrum and structure of singlet CH 2Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1966