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Static electronic and vibrational polarizabilities of poly(dimethylsilane) chains

✍ Scribed by Benoît Champagne; Éric A. Perpète; Jean-Marie André

Book ID
114142115
Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
650 KB
Volume
391
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES

Curvature versus nuclear relaxation cont
Curvature versus nuclear relaxation contributions to the static vibrational polarizability of polyacetylene chains
✍ Benoît Champagne; Hervé Vanderhoeven; Éric A. Perpète; Jean-Marie André 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 537 KB

The nuclear relaxation and curvature contributions to the static vibrational polarizability of all-trans polyacetylene chains have been calculated at the Hartree-Fock 6-31G level of approximation by using a finite field relaxation procedure. In the curvature contribution are included the zero-point

Bond length alternation effects on the s
Bond length alternation effects on the static electronic polarizability and second hyperpolarizability of polyacetylene chains
✍ Benoît Champagne; Eric A. Perpète 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 309 KB 👁 2 views

The static electronic longitudinal polarizability ␣ and second ## Ž . hyperpolarizability ␥ of all-trans planar polyacetylene chains have been computed at Ž . different levels of approximation by varying the bond length alternation BLA along the Ž . conjugated backbone. Although the restricted Ha