A procedure is outlined for the calculation of molecular static electric polnrizabilities ir! excited singkt 2nd triplet states using the "finite perturbation theory" in conjunction with the CNDO/S CI method. Numerical results for the sound and the three lowest excited singlet and triplet states of
✦ LIBER ✦
Evaluation of the Molecular Polarizability Using the IPPP−CLOPPA−INDO/S Method. Application to Molecules of Biological Interest
✍ Scribed by Botek, Edith; Giribet, Claudia; Ruiz de Azúa, Martín; Negri, Ricardo Martín; Bernik, Delia
- Book ID
- 126093461
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 285 KB
- Volume
- 112
- Category
- Article
- ISSN
- 1089-5639
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