A method is proposed to evaluate the hyperpolarizability directly from the ab initio CI matrices without diagonalizing them. The method is an extension of that called "the frequency-dependent moment method", which we have developed and applied for frequency-dependent polarizability calculations.
Frequency-dependent hyperpolarizabilities of haloforms from ab initio SCF calculations
β Scribed by S.P. Karna; M. Dupuis
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 645 KB
- Volume
- 171
- Category
- Article
- ISSN
- 0009-2614
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