Open-shell multi-configuration self-consistent-field results for the lowest energy 1(π, π*) state of planar ethylene
- 1 April 1973
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 19 (3) , 323-327
- https://doi.org/10.1016/0009-2614(73)80369-0
Abstract
No abstract availableThis publication has 15 references indexed in Scilit:
- Multiconfiguration wavefuntions for the lowest (ππ*) excited states of ethyleneChemical Physics Letters, 1972
- A valence state description of the ethylene V state by configuration interaction theoryChemical Physics Letters, 1972
- ππ*Transition of ethylene: electron correlation and Rydberg characterChemical Physics Letters, 1972
- Remarks on the Description of Excited Electronic States by Configuration Interaction Theory and a Study of the (π → π*1) State of H2COThe Journal of Chemical Physics, 1972
- Orbital nature in the electronic states of cyclopropeneMolecular Physics, 1972
- Dimerization of Methylenes by Their Least Motion, Coplanar Approach: A Multiconfiguration Self-Consistent Field StudyThe Journal of Chemical Physics, 1971
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Interpretation of Open-Shell SCF Calculations on the T and V States of EthyleneThe Journal of Chemical Physics, 1970
- The Method of Optimized Valence Configurations: A Reasonable Application of the Multiconfiguration Self-Consistent-Field Technique to the Quantitative Description of Chemical BondingPublished by Elsevier ,1970
- Double Configuration Self-Consistent Field Study of the Πu1, 3Πu, 1Πg and Πg3 States of H2The Journal of Chemical Physics, 1969