Car-Parrinello treatment for an approximate density-functional theory method

Journal of Chemical Physics

Volumn 126, Issue 12, 2007, Pages

  Rapacioli, Mathias ^a   Barthel, Robert ^a   Heine, Thomas ^a   Seifert, Gotthard ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BENZENE; BOUNDARY CONDITIONS; FULLERENES; MOLECULAR DYNAMICS;

ATOMIC ORBITAL ANSATZ; MEMORY BANDWIDTH; SECULAR EQUATIONS; SPARSE MATRIX STORAGE;

DENSITY FUNCTIONAL THEORY;

EID: 34047178484     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2566510     Document Type: Article

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