Monte carlo evaluation of the equilibrium isotope effects using the takahashi-imada factorization of the feynman path integral

Chemical Physics Letters

Volumn 588, Issue , 2013, Pages 11-16

  Buchowiecki, Marcin ^a   Vaníček, Jiří ^b  

^a UNIVERSITY OF SZCZECIN   (Poland)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER MOBILITY; FACTORIZATION; FREE ENERGY; ISOTOPES; QUANTUM THEORY;

COMPUTATIONAL COSTS; COMPUTING EQUILIBRIA; FEYNMAN PATH INTEGRALS; ISOTOPE EXCHANGE REACTIONS; ISOTOPE FRACTIONATION; PATH INTEGRAL APPROACH; STATISTICAL CONVERGENCE; THERMODYNAMIC INTEGRATION;

EQUILIBRIUM CONSTANTS;

EID: 84893767343     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.09.070     Document Type: Article

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