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Calculation of the molecular polarizability tensor

โœ Scribed by Miller, Kenneth J.


Book ID
115473493
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
931 KB
Volume
112
Category
Article
ISSN
0002-7863

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A finite field method for calculating mo
โœ Dennis M. Elking; Lalith Perera; Robert Duke; Thomas Darden; Lee G. Pedersen ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 437 KB

A finite field method for calculating spherical tensor molecular polarizability tensors ฮฑ(lm;l'm') = โˆ‚ฮ”(lm)/โˆ‚ฯ•(l'm')\* by numerical derivatives of induced molecular multipole ฮ”(lm) with respect to gradients of electrostatic potential ฯ•(l'm')\* is described for arbitrary multipole ranks l and l'. Int