Baeurle, Stephan A. and Efimov, G. V. and Nogovitsin, E. A. (2006) Calculating field theories beyond the mean-field level. EUROPHYSICS LETTERS, 75 (3). pp. 378-384. ISSN 0295-5075,
Full text not available from this repository.Abstract
Mean-field theories are widely used as comparative theoretical tools throughout all areas of natural and engineering sciences. They are capable in many instances to deliver useful insights in properties and behavior of multi-body systems at relatively moderate computational costs. However, there are a multitude of cases were the mean-field approach has been found to provide either inaccurate or even qualitatively wrong results. In this article we present a new low-cost approach based on the method of Gaussian equivalent representation of Efimov and Ganbold, and show that it provides a far more accurate 0th-order approximation of the free energy and related thermodynamic and structural quantities than the mean-field approach. We demonstrate its effectiveness on the example of a polymer solution model in the dilute and semi-dilute regime.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | MONTE-CARLO METHOD; FUNCTIONAL-INTEGRALS; COMPLEX FLUIDS; SIGN PROBLEM; POLYMERS; SYSTEMS; REPRESENTATION; SIMULATION; MODEL; |
| 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: | 09 Feb 2021 05:57 |
| Last Modified: | 09 Feb 2021 05:57 |
| URI: | https://pred.uni-regensburg.de/id/eprint/34218 |
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