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Path-integral-expanded-ensemble Monte Carlo method in treatment of sign problem for fermions
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
2009 (English)In: Physical Reviev E, Vol. 80, 066702- p.Article in journal (Refereed) Published
Abstract [en]

Expanded ensemble Monte Carlo method with Wang – Landau algorithm was used for calculations of the ratio of partition functions for classes of permutations in the problem of several interacting quantum particles (fermions) in an external field. Simulations for systems consisting from 2 and up to 7 interacting particles in harmonic or Coulombic field were performed. The presented approach allows one to carry out calculations for low enough temperatures which makes possible to extract data for the ground state energy and low temperature thermodynamics.

Place, publisher, year, edition, pages
2009. Vol. 80, 066702- p.
URN: urn:nbn:se:su:diva-36395DOI: 10.1103/PhysRevE.80.06670OAI: diva2:289333
Advanced computer simulation methods for theoretical description of molecular systems
Available from: 2010-01-24 Created: 2010-01-24 Last updated: 2011-03-29Bibliographically approved

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Lyubartsev, AP
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Department of Physical, Inorganic and Structural Chemistry

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