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Finite lifetime effects on the polarizability within time-dependent density-functional theory

โœ Scribed by Jensen, L.; Autschbach, J.; Schatz, G. C.


Book ID
120007024
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
433 KB
Volume
122
Category
Article
ISSN
0021-9606

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Polarizable continuum model with the fra
โœ Mahito Chiba; Dmitri G. Fedorov; Kazuo Kitaura ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 578 KB

## 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