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The evaluation of vibronic coupling matrix elements

✍ Scribed by Giorgio Orlandi

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
426 KB
Volume
44
Category
Article
ISSN
0009-2614

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✦ Synopsis

The lierzberg-Teller expansion over floating-orbital zero-order w&vefunctions is used to derive vibronic coupling iMegals. These arc shown to be eastly obtained by the use of standard semi-empirical hf0 methods.

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