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Journal of Chemical Physics

Volumn 115, Issue 21, 2001, Pages 9627-9636

Characterization of anharmonicities on complex potential energy surfaces: Perturbation theory and simulation

(3) Calvo, F a Doye, J P K a Wales, D J a

a European Theoretical Spectroscopy Facility (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; STATISTICAL MECHANICS; THERMAL EFFECTS; THERMAL EXPANSION;

ANHARMONICITY; LENNARD-JONES SYSTEM; POTENTIAL ENERGY SURFACE; REVERSIBLE-SCALING MONTE CARLO SIMULATION;

QUANTUM THEORY;

EID: 0035656766 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1415462 Document Type: Article

Times cited : (58)

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