On a new self-consistent-field theory for the canonical ensemble - PubMed
- ️Sun Jan 01 2006
. 2006 Jun 14;124(22):224110.
doi: 10.1063/1.2204913.
Affiliations
- PMID: 16784266
- DOI: 10.1063/1.2204913
On a new self-consistent-field theory for the canonical ensemble
Stephan A Baeurle et al. J Chem Phys. 2006.
Abstract
A significant amount of many-body problems of quantum or classical equilibrium statistical mechanics are conveniently treated at fixed temperature and system size. In this paper, we present a new functional integral approach for solving canonical ensemble problems over the entire coupling range, relying on the method of Gaussian equivalent representation of Efimov and Ganbold. We demonstrate its suitability and competitiveness for performing approximate calculations of thermodynamic and structural quantities on the example of a repulsive potential model, widely used in soft matter theory.
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