Path integral Monte Carlo simulations for rigid rotors and their application to water

Molecular Physics

Volumn 109, Issue 1, 2011, Pages 149-168

  Noya, Eva G ^a   Sesé, Luis M ^b   Ramírez, Rafael ^c   McBride, Carl ^d   Conde, Maria M ^d   Vega, Carlos ^d  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

^c INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

^d UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

Monte Carlo; path integral simulations; thermodynamics; water

Indexed keywords

CLASSICAL SIMULATION; EMPIRICAL POTENTIALS; EQUATION OF STATE; HEAT CAPACITIES; LIQUID WATER; LOW TEMPERATURES; MONTE CARLO; MONTE CARLO SIMULATION; NUMERICAL RESULTS; PATH INTEGRAL; PATH INTEGRAL MONTE CARLO SIMULATIONS; PATH-INTEGRAL SIMULATION; QUANTUM EFFECTS; RELATIVE STABILITIES;

COMPUTER SIMULATION; EQUATIONS OF STATE OF LIQUIDS; MONTE CARLO METHODS; QUANTUM ELECTRONICS; RIGID ROTORS; THERMODYNAMICS;

ICE;

EID: 79551567371     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.528202     Document Type: Article

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