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Article
Variational path integral simulations using discretized coordinates
Chemical Physics Letters (2006)
  • Robert Hinde, University of Tennessee
Abstract

We describe a variational path integral simulation algorithm for quantum Monte Carlo studies of many-body systems in which particles are restricted to occupy sites on a regular simple cubic lattice with lattice constant s, and discuss the algorithm’s potential computational benefits. Application of the algorithm to the weakly bound cluster Ne3 shows that accurate coordinate-space observables for this system can be computed using lattice constants as large as s = 0.2 a0.

Publication Date
2006
Citation Information
Robert Hinde. "Variational path integral simulations using discretized coordinates" Chemical Physics Letters Vol. 418 (2006)
Available at: http://works.bepress.com/robert_hinde/11/