Investigation of dominant electron configurations in time-dependent density functional theory

Journal of Theoretical and Computational Chemistry

Volumn 4, Issue 1, 2005, Pages 265-280

  Yanagisawa, Susumu ^a   Tsuneda, Takao ^a   Hirao, Kimihiko ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

Contracted TDDFT submatrix; Small matrix approximation; TDDFT

Indexed keywords

CARBON MONOXIDE; PLATINUM;

AB INITIO CALCULATION; CONFERENCE PAPER; DENSITY FUNCTIONAL THEORY; ELECTROCHEMISTRY; ELECTRON; ENERGY; PHASE TRANSITION;

EID: 17644366791     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633605001507     Document Type: Conference Paper

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