Liouville-von Neumann molecular dynamics

Journal of Chemical Physics

Volumn 130, Issue 22, 2009, Pages

  Jakowski, Jacek ^a   Morokuma, Keiji ^a,b  

^a EMORY UNIVERSITY   (United States)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER MOLECULAR DYNAMICS; CONSERVATION OF ENERGY; DENSITY MATRIX; DIAGONALIZATION; FIRST PRINCIPLES MOLECULAR DYNAMICS; FOCK OPERATORS; FULLERENE FORMATION; MAGNUS EXPANSION; METALLIC SYSTEMS; NEUMANN EQUATION; QUANTUM PROPAGATION; TIME EVOLUTIONS; TIME STEP; VIA DENSITY;

FULLERENES; MATHEMATICAL OPERATORS; MOLECULAR DYNAMICS; QUANTUM THEORY;

DYNAMICS;

EID: 67549140146     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3152120     Document Type: Article

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