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Finite chain approximation for linear and nonlinear polarizabilities of polydiacetylene and polybutatriene

โœ Scribed by Bernard Kirtman

Book ID
104582604
Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
397 KB
Volume
36
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

Convergence of finite chain approximatio
Convergence of finite chain approximation for linear and non-linear polarizabilities of polyacetylene
โœ Bernard Kirtman ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 253 KB

Static longitudinal polarizabilities, cy,,, and hyperpolarizabilities, yZZZZ, are determined at the INDO level of approximation for finite polyene chain models of polyacetylene (CZNH2N+2 ) containing up to 62 carbon atoms. Where comparison is possible the agreement with ab initio calculations is exc

Ab initio calculations of linear and non
Ab initio calculations of linear and nonlinear polarizabilities in the side-chain direction on the conjugated polymers
โœ Shin-ichirou Hayashi; Satoshi Yabushita; Akira Imamura ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 375 KB

Linear polarizabilities and third-order hyperpoiarizabilities in the side-chain direction are calculated using the ab initio coupled Hartree-Fock method on polyacetylene and its derivatives. From these calculations, it is found that hyperpolarizabilities become larger by interactions between the mai