𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Time-dependent density functional theory based upon the fragment molecular orbital method

✍ Scribed by Chiba, Mahito; Fedorov, Dmitri G.; Kitaura, Kazuo


Book ID
111980906
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
764 KB
Volume
127
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Polarizable continuum model with the fra
✍ Mahito Chiba; Dmitri G. Fedorov; Kazuo Kitaura πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 578 KB

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