The Effects of Doubly-excited Configurations in the P-P-P-CI Calculation
- 1 October 1973
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 46 (10) , 2950-2955
- https://doi.org/10.1246/bcsj.46.2950
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- On the Effects of Doubly Excited Configurations in Semi-Empirical Molecular Orbital Calculations on Non-Alternant HydrocarbonsBulletin of the Chemical Society of Japan, 1971
- Electronic Structures of Unsaturated Molecules Containing Hetero-atoms, — Configuration Interaction Treatment Including Doubly Excited ConfigurationsBulletin of the Chemical Society of Japan, 1970
- Use of the CNDO Method in Spectroscopy. II. Five-Membered RingsThe Journal of Chemical Physics, 1968
- Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the DiazinesThe Journal of Chemical Physics, 1968
- Configuration Interaction in Molecular-Orbital TheoryThe Journal of Chemical Physics, 1967
- Importance of Doubly Excited Configurations in Semiempirical Molecular-Orbital CalculationsThe Journal of Chemical Physics, 1967
- Semiempirical Calculation on the Lower Electronic States of the Benzene MoleculeThe Journal of Chemical Physics, 1963
- Importance of Doubly Excited Configurations in the Interpretation of Electronic SpectraThe Journal of Chemical Physics, 1956
- A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. IIThe Journal of Chemical Physics, 1953
- Electron interaction in unsaturated hydrocarbonsTransactions of the Faraday Society, 1953