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
The valence bond Aufbau principle for molecular excited states
β Scribed by David L. Huestis; William A. Goddard III
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 559 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0009-2614
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