Nested Markov chain Monte Carlo sampling of a density functional theory potential: Equilibrium thermodynamics of dense fluid nitrogen

Journal of Chemical Physics

Volumn 131, Issue 7, 2009, Pages

  Coe, Joshua D ^a   Sewell, Thomas D ^b   Shaw, M Sam ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; BASIS SETS; DENSE FLUID; EQUILIBRIUM THERMODYNAMICS; HIGH PROBABILITY; HUGONIOT; INPUT PARAMETER; MARKOV CHAIN MONTE CARLO; MONTE CARLO; PAIR POTENTIAL; PERDEW-BURKE-ERNZERHOF; PRESSURE AND TEMPERATURE; REFERENCE SYSTEMS; SAMPLING-BASED; SIMULATION RESULT; THERMODYNAMIC CONDITIONS;

FLUIDS; MARKOV PROCESSES; MONTE CARLO METHODS; SEMICONDUCTOR COUNTERS; THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 69249176059     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3200904     Document Type: Article

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