High-order time expansion path integral ground state

The feasibility of path integral Monte Carlo ground state calculations with very few beads using a high-order short-time Green's function expansion is discussed. An explicit expression of the evolution operator which provides dramatic enhancements in the quality of ground-state wave functions i...

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Veröffentlicht in:Physical review. E, Statistical, nonlinear, and soft matter physics Statistical, nonlinear, and soft matter physics, 2010-01, Vol.81 (1 Pt 2), p.016707-016707, Article 016707
Hauptverfasser: Rota, R, Casulleras, J, Mazzanti, F, Boronat, J
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Sprache:eng
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Zusammenfassung:The feasibility of path integral Monte Carlo ground state calculations with very few beads using a high-order short-time Green's function expansion is discussed. An explicit expression of the evolution operator which provides dramatic enhancements in the quality of ground-state wave functions is examined. The efficiency of the method makes possible to remove the trial wave function and thus obtain completely model-independent results still with a very small number of beads. If a single iteration of the method is used to improve a given model wave function, the result is invariably a shadow-type wave function, whose precise content is provided by the high-order algorithm employed.
ISSN:1539-3755
1550-2376
DOI:10.1103/PhysRevE.81.016707