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Nonlinear response time-dependent density functional theory combined with the effective fragment potential method

โœ Scribed by Zahariev, Federico; Gordon, Mark S.


Book ID
121842723
Publisher
American Institute of Physics
Year
2014
Tongue
English
Weight
549 KB
Volume
140
Category
Article
ISSN
0021-9606

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## Abstract The polarizable continuum model (PCM) for describing the solvent effect was combined with the fragment molecular orbitalโ€based timeโ€dependent density functional theory (TDDFT). Several levels of the manyโ€body expansion were implemented, and the importance of the manyโ€body contributions