Self-consistent field theory based molecular dynamics with linear system-size scaling

Journal of Chemical Physics

Volumn 140, Issue 13, 2014, Pages

  Richters, Dorothee ^a   Kühne, Thomas D ^a,b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENTIAL EQUATIONS; ELECTRONIC STRUCTURE; LINEAR SYSTEMS; LIQUID METHANE; MEAN FIELD THEORY; MOLECULAR ORBITALS;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; ELECTRONIC STRUCTURE CALCULATIONS; EXACT DECOMPOSITIONS; EXTREME CONDITIONS; FIELD THEORETIC APPROACH; MOLECULAR DYNAMICS SIMULATIONS; SELF CONSISTENT FIELD THEORY; SELF-CONSISTENT FIELD;

MOLECULAR DYNAMICS;

EID: 84897990525     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869865     Document Type: Article

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