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Linear-scaling self-consistent field methods for large molecules

✍ Scribed by Kussmann, Jörg; Beer, Matthias; Ochsenfeld, Christian


Book ID
120582702
Publisher
Wiley (John Wiley & Sons)
Year
2013
Tongue
English
Weight
407 KB
Volume
3
Category
Article
ISSN
1759-0876

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📜 SIMILAR VOLUMES


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A recently developed, general computer program that performs vibrational self-consistent field (VSCF) calculations for large molecules is described. The program, which we refer to as VSCF-95, requires as its only input a force field in mass-scaled normal coordinates. Currently, it is limited to a ma

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