An MRD-CI study of the vertical 1(π,π*) VN transition of ethylene using an AO basis with optimized Rydderg ndπ species and two se
- 1 January 1979
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 36 (1), 97-111
- https://doi.org/10.1016/0301-0104(79)85107-1
Abstract
No abstract availableThis publication has 33 references indexed in Scilit:
- Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniquesMolecular Physics, 1978
- A study of the convergence in iterative natural orbital proceduresInternational Journal of Quantum Chemistry, 1977
- Ab initio evaluation of correlation contributions to the true π-electron Hamiltonian: EthyleneThe Journal of Chemical Physics, 1974
- Configuration interaction calculations on the nitrogen moleculeInternational Journal of Quantum Chemistry, 1974
- Calculation of the electronic spectrum of formaldehydeChemical Physics Letters, 1971
- Ultraviolet spectra and excited states of ethylene and its alkyl derivativesChemical Reviews, 1969
- Assignment of the Ultraviolet Mystery Band of OlefinsThe Journal of Chemical Physics, 1966
- A note on the twisting-frequency in ethyleneProceedings of the Physical Society, 1934
- The theory of the structure of ethylene and a note on the structure of ethaneProceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character, 1934
- Electronic Structures of Polyatomic Molecules and Valence. II. Quantum Theory of the Double BondPhysical Review B, 1932