Efficient computation of the coupling matrix in time-dependent density functional theory

Computer Physics Communications

Volumn 167, Issue 1, 2005, Pages 7-22

  De La Grandmaison, Emmanuel Lorin ^a,b   Gowda, Shivaraju B ^c   Saad, Yousef ^c   Tiago, Murilo L ^c   Chelikowsky, James R ^c  

^a Lab d'Analyse Numérique   (France)

^b UNIVERSITÉ PARIS SACLAY   (France)

^c UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; MATRIX ALGEBRA; NUMERICAL ANALYSIS; POISSON EQUATION; PROBABILITY DENSITY FUNCTION; PROBLEM SOLVING; REAL TIME SYSTEMS; SEMICONDUCTOR QUANTUM DOTS;

CONJUGATE GRADIENT METHOD (CGM); COUPLING MATRIX; LOCAL DENSITY APPROXIMATION (LDA); WAVE FUNCTIONS;

COMPUTATIONAL COMPLEXITY;

EID: 14844287009     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2004.12.003     Document Type: Article

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