Abstract

We propose that the free energy of solids and dense liquids can be calculated by combining perturbation theory with direct evaluation of free-energy difference by Monte Carlo sampling. The method provides a novel, convenient, and direct approach to the free energy of both solids and liquids without using thermodynamic integration or upper-bound approximations. Monte Carlo perturbation results for model two-dimensional systems are shown to be in very good agreement with free energy obtained by standard techniques.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.