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CEIMC | |
| Author/Affiliation | |
| Author email | mdewing@ncsa.uiuc.edu |
| Description of Software | Coupled 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). |
| Submitted | 1/1/2002 |
| 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/[...] |