Variational fitting methods for electronic structure calculations

Molecular Physics

Volumn 108, Issue 21-23, 2010, Pages 3167-3180

  Dunlap, Brett I ^a   Rösch, Notker ^b   Trickey, S B ^c  

^a NAVAL RESEARCH LABORATORY   (United States)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c UNIVERSITY OF FLORIDA   (United States)

Author keywords

Cholesky decomposition; density fitting; inner projection; resolution of the identity; variational fitting

Indexed keywords

CHOLESKY DECOMPOSITION; DENSITY FITTING; INNER PROJECTION; RESOLUTION OF THE IDENTITY; VARIATIONAL FITTING;

COMPUTATIONAL CHEMISTRY; DYNAMICS; ELECTRONIC STRUCTURE; ELECTRONS; MECHANICAL PROPERTIES; QUANTUM COMPUTERS;

QUANTUM THEORY;

EID: 78649603163     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.518982     Document Type: Conference Paper

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