Creating an Inexpensive Grid for Monte Carlo Calculations

POSTER

Abstract

We have developed software that converts an unused PC into a workstation that accepts jobs from a server and sends all results back to this server. Using a grid of up to 100 machines, a set of explicitly correlated wavefunctions optimized by Filippi and Umrigar and variational Monte Carlo we have plotted the electron density, the intracule density, the extracule density, the electron density difference, two forms of the kinetic energy density, the Laplacian of the electron density, the Laplacian of the intracule density and the Laplacian of the extracule density of the ground state of Li2, Be2, B2, C2, N2, O2 and F2 near their equilibrium distance.

Authors

  • Sean Smith

    Dept. Physics, Southwestern University

  • Steve Alexander

    Southwestern University, Dept. Physics, Southwestern University

  • Stephen Foster

    Department of Math and Computer Science, Southwestern University

  • Nathan Lindzey

    Dept. Math and Computer Science, Southwestern University, Department of Math and Computer Science, Southwestern University

  • Robert S. Potter

    Department of Math and Computer Science, Southwestern University

  • Walter M. Potter

    Dept. Math and Computer Science, Southwestern University, Department of Math and Computer Science, Southwestern University

  • Jon. T Rogers

    Department of Math and Computer Science, Southwestern University

  • Carl West

    Dept. Math and Computer Science, Southwestern University, Department of Math and Computer Science, Southwestern University

  • R.L. Coldwell

    University of Florida, Dept. Physics, University of Florida

  • S. Datta

    S.N. Bose National Centre for Basic Science, Calcutta, India