The valence bond description of excited states is considered in the context of the CASVB approach, with emphasis on the simultaneous optimization of orbitals and structure coefficients for highly general types of wave function, as well as Ε½ . the close connection to the complete active space self-co
Modern Valence Bond Description of Gas-Phase Pericyclic Reactions
β Scribed by David L. Cooper; Peter B. Karadakov; Thorstein Thorsteinsson
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 24 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0931-7597
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