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Software Archive > All Categories > Classical/Quantum Simulation

CEIMC

Author/Affiliation
  • Mark Dewing, NCSA
  • David Ceperley, UIUC, NSCA
  • Author emailmdewing@ncsa.uiuc.edu
    Description of SoftwareCoupled Electronic-Ionic Monte Carlo (CEIMC) conducts a classical Monte Carlo simulation of an atomic or molecular system, but the intermolecular potential is computed by a Quantum Monte Carlo (QMC) method rather than the usual empirical potential. The QMC method can be either Variational Monte Carlo (VMC) or the more accurate Diffusion Monte Carlo (DMC).
    Submitted1/1/2002
    Copyright Mark Dewing, 2001
    Download software from MCC:ceimc.tar.gz (94 kB)

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    Download documentation from:http://www.mcc.uiuc.edu/software/Pages/ceimc/[...]