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Quantum Chemical Calculations of the First- and Second-Order Hyperpolarizabilities of Molecules in Solutions

✍ Scribed by Bartkowiak, W.; Zaleśny, R.; Niewodniczański, W.; Leszczynski, J.


Book ID
120168609
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
89 KB
Volume
105
Category
Article
ISSN
1089-5639

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Calculations of first- and second-order
✍ J. G. Fripiat; C. Barbier; V. P. Bodart; J. M. André 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 414 KB

From a suitable reorganisation of the sum-over-states (SOS) equations of the usual time-independent perturbation theory, recurrent expressions for static polarizability ( a ) and second-( p ) and third-(y) order hyperpolarizabilities are obtained. These expressions are given in a well-adapted way fo