On a new self-consistent-field theory for the canonical ensemble.
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.
Baeurle
Stephan A
SA
Institut für Physikalische und Theoretische Chemie, Universität Regensburg, D-93053 Regensburg, Germany. stephan.baeurle@chemie.uni-regensburg.de
Efimov
Garii V
GV
Nogovitsin
Evgenij A
EA