Determination of excess Gibbs free energy of quantum mixtures by path integral Monte Carlo simulations
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268979500101961
Reference35 articles.
1. Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids
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3. A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals
4. Cumulant methods and short time propagators
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3. On the direct calculation of the free energy of quantization for molecular systems in the condensed phase;Journal of Computational Chemistry;2009-03
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