Modeling ultrafast solvated electronic dynamics using time-dependent density functional theory and polarizable continuum model

Journal of Physical Chemistry A

Volumn 116, Issue 8, 2012, Pages 1884-1890

  Liang, Wenkel ^a   Chapman, Craig T ^a   Ding, Feizhi ^a   Li, Xiaosong ^a  

^a UNIVERSITY OF WASHINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER PROCESS; ELECTRONIC DENSITY; ELECTRONIC DYNAMICS; ELECTRONIC SYSTEMS; FIRST-PRINCIPLES; LINEAR RESPONSE; POLARIZABLE CONTINUUM MODEL; POLARIZABLE CONTINUUMS; REACTION FIELDS; SOLUTE MOLECULES; SOLVATION EFFECT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT; ULTRA-FAST;

CHARGE TRANSFER; CONTINUUM MECHANICS;

DYNAMICS;

EID: 84863243769     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2123899     Document Type: Article

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