Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles

Journal of Chemical Physics

Volumn 131, Issue 24, 2009, Pages

  Stein, Tamar ^a   Kronik, Leeor ^b   Baer, Roi ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE-TRANSFER EXCITATIONS; COUPLED-CLUSTER SINGLES AND DOUBLES; FIRST-PRINCIPLES; OSCILLATOR STRENGTHS; PREDICTIVE POWER; QUALITY OF PREDICTIONS; SEPARATION PARAMETERS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

EXCITATION ENERGY; SEPARATION; TUNING;

DENSITY FUNCTIONAL THEORY;

EID: 73649101299     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3269029     Document Type: Article

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