SCOPUS 정보 검색 플랫폼

Molecular Physics

Volumn 113, Issue 8, 2015, Pages 808-822

Nuclear quantum effects in liquid water from path-integral simulations using an ab initio force-matching approach

(4) Spura, Thomas a,b John, Christopher a Habershon, Scott c Kühne, Thomas D a,b

a JOHANNES GUTENBERG UNIVERSITY (Germany)

b UNIVERSITY OF PADERBORN (Germany)

c UNIVERSITY OF WARWICK (United Kingdom)

Author keywords

liquid water; molecular dynamics; nuclear quantum effects; path integral

Indexed keywords

DENSITY FUNCTIONAL THEORY; LIQUIDS; MOLECULAR DYNAMICS;

AB INITIO PATH INTEGRAL SIMULATION; DISPERSION CORRECTION; EXCHANGE-CORRELATION FUNCTIONALS; LIQUID WATER; MOLECULAR DYNAMICS SIMULATIONS; NUCLEAR QUANTUM EFFECTS; PATH INTEGRAL; PATH-INTEGRAL SIMULATION;

QUANTUM THEORY;

EID: 84924529955 PISSN: 00268976 EISSN: 13623028 Source Type: Journal
DOI: 10.1080/00268976.2014.981231 Document Type: Article

Times cited : (41)

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