Modeling Solvent Effects on Electronic Excited States
نویسندگان
چکیده
منابع مشابه
Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states.
The effects of solvent on molecular processes such as excited state relaxation and photochemical reaction often occurs in a nonequilibrium regime. Dynamic processes such as these can be simulated using excited statemolecular dynamics. In this work, we describe methods of simulating nonequilibrium solvent effects in excited statemolecular dynamics using linear-response time-dependent density fun...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2011
ISSN: 1948-7185
DOI: 10.1021/jz200947j