The merits of the frozen-density embedding scheme to model solvatochromic shifts

Journal of Chemical Physics

Volumn 122, Issue 9, 2005, Pages

  Neugebauer, Johannes ^a   Louwerse, Manuel J ^a   Baerends, Evert Jan ^a   Wesolowski, Tomasz A ^b  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITATION ENERGY; FROZEN-DENSITY EMBEDDING SCHEME; SOLVATOCHROMIC SHIFTS; SOLVENT ENVIRONMENTS;

APPROXIMATION THEORY; CHARGE TRANSFER; COMPUTER SIMULATION; FREEZING; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; SOLVENTS;

EMBEDDED SYSTEMS;

EID: 22944484095     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1858411     Document Type: Article

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