High-order time expansion path integral ground state

Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Jan;81(1 Pt 2):016707. doi: 10.1103/PhysRevE.81.016707. Epub 2010 Jan 22.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't