Polarizable continuum model with the fra
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Mahito Chiba; Dmitri G. Fedorov; Kazuo Kitaura
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Article
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2008
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John Wiley and Sons
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English
β 578 KB
## Abstract The polarizable continuum model (PCM) for describing the solvent effect was combined with the fragment molecular orbitalβbased timeβdependent density functional theory (TDDFT). Several levels of the manyβbody expansion were implemented, and the importance of the manyβbody contributions