Communication: Multiple-timestep ab initiomolecular dynamics with electron correlation

Journal of Chemical Physics

Volumn 139, Issue 1, 2013, Pages

  Steele, Ryan P ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; EFFICIENCY IMPROVEMENT; ELECTRON CORRELATION CONTRIBUTION; HARTREE-FOCK; LARGE SYSTEM; PERTURBATION THEORY; TIME-SCALES;

ELECTRON CORRELATIONS; MOLECULAR DYNAMICS; MOLECULAR PHYSICS;

QUANTUM CHEMISTRY;

CHEMICAL STRUCTURE; ELECTRON; MOLECULAR DYNAMICS; THEORETICAL MODEL; ARTICLE;

ELECTRONS; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR DYNAMICS SIMULATION;

EID: 84886047585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4812568     Document Type: Article

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