Local structure and thermodynamics of a core-softened potential fluid: Theory and simulation

ChemPhysChem

Volumn 8, Issue 1, 2007, Pages 138-147

  Zhou, Shiqi ^a   Jamnik, Andrej ^b   Wolfe, Elie ^c   Buldyrev, Sergey V ^c  

^a HUNAN UNIVERSITY OF TECHNOLOGY   (China)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

^c YESHIVA UNIVERSITY   (United States)

Author keywords

Ab initio calculations; Core softened potential; Density functional calculations; Molecular dynamics; Statistical thermodynamics

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; INTEGRAL EQUATIONS; INTELLIGENT SYSTEMS; MOLECULAR DYNAMICS; QUANTUM THEORY; STATISTICAL MECHANICS; THERMODYNAMICS;

AB INITIO CALCULATIONS; CORE-SOFTENED POTENTIALS; DENSITY FUNCTIONAL APPROXIMATIONS; GRAND CANONICAL ENSEMBLE; MODIFIED HYPERNETTED CHAINS; MOLECULAR DYNAMICS SIMULATIONS; ORNSTEIN-ZERNIKE INTEGRAL EQUATIONS; SECOND ORDER PERTURBATION;

MONTE CARLO METHODS;

EID: 33846548686     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200600516     Document Type: Article

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