Second-Order Hyperpolarizabilities of Stilbazolium Cations Studied by Semiempirical Calculation
β Scribed by Duan, Xuan-Ming; Konami, Hideo; Okada, Shuji; Oikawa, Hidetoshi; Matsuda, Hiro; Nakanishi, Hachiro
- Book ID
- 127264042
- Publisher
- American Chemical Society
- Year
- 1996
- Tongue
- English
- Weight
- 479 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0022-3654
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π SIMILAR VOLUMES
The QED-MP2 model based on the quasi-energy derivative method in the second-order Moller-Plesset perturbation theory is formulated, and frequency-dependent (dynamic) polarizabilities [a(-w; o~)] for H20 and NH3 are calculated. Dynamic polarizabilities obtained for HzO agree with experimental values.
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