High order path integrals made easy

Journal of Chemical Physics

Volumn 145, Issue 23, 2016, Pages

  Kapil, Venkat ^a   Behler, Jörg ^b   Ceriotti, Michele ^a  

^a EPFL   (Switzerland)

^b RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; MOLECULAR DYNAMICS; QUANTUM ELECTRONICS; TEMPERATURE;

ATOMISTIC MODELLING; COMPUTATIONAL OVERHEADS; HIGH-ORDER PATH INTEGRALS; HYBRID DENSITY FUNCTIONAL THEORY; IMPROVED CONVERGENCE; NUCLEAR QUANTUM EFFECTS; SECOND-ORDER TECHNIQUES; TECHNICAL CHALLENGES;

DENSITY FUNCTIONAL THEORY;

EID: 85006833522     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4971438     Document Type: Article

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