Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution

Journal of Physical Chemistry A

Volumn 119, Issue 21, 2015, Pages 5446-5464

  Mewes, Jan Michael ^a   You, Zhi Qiang ^b   Wormit, Michael ^a   Kriesche, Thomas ^a   Herbert, John M ^b   Dreuw, Andreas ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; EXCITATION ENERGY; MOLECULES; SOLVENTS;

ALGEBRAIC DIAGRAMMATIC CONSTRUCTIONS; CONFIGURATION INTERACTIONS; EXCITED STATE DENSITIES; EXPERIMENTAL BENCHMARKS; MEAN ABSOLUTE DEVIATIONS; POLARIZABLE CONTINUUM MODEL; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VERTICAL EXCITATION ENERGY;

EXCITED STATES;

EID: 84930673594     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp511163y     Document Type: Article

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