Baeurle, Stephan A. and Efimov, GV and Nogovitsin, EA (2006) On a new self-consistent-field theory for the canonical ensemble. JOURNAL OF CHEMICAL PHYSICS, 124 (22): 224110. ISSN 0021-9606,
Full text not available from this repository. (Request a copy)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 [Phys. Status Solidi 168, 165 (1991)]. 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. (c) 2006 American Institute of Physics.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GAUSSIAN CORE MODEL; MONTE-CARLO METHOD; FUNCTIONAL-INTEGRALS; PARTITION-FUNCTIONS; COMPLEX FLUIDS; SIMULATION; POLYMERS; SYSTEMS; THERMODYNAMICS; REPRESENTATION; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > PD Dr. Stephan Baeurle |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 11 Feb 2021 13:12 |
| Last Modified: | 11 Feb 2021 13:12 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34448 |
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