Performance of time-dependent density functional and Green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states

Journal of Computational Chemistry

Volumn 24, Issue 6, 2003, Pages 692-700

  Zyubin, A S ^a,b   Mebel, A M ^a  

^a INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

^b INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

Excited electronic states; Outer valence Green functions method; Point defects in silica; Rydberg electronic states; Time dependent density functional theory

Indexed keywords

CHARGE TRANSFER; ELECTRONIC STRUCTURE; GREEN'S FUNCTION; POINT DEFECTS; SILICA;

RYDBERG ELECTRONIC STATES;

QUANTUM THEORY;

EID: 0037473484     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10220     Document Type: Article

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