QSATS: MPI-driven quantum simulations of atomic solids at zero temperature

We describe QSATS, a parallel code for performing variational path integral simulations of the quantum mechanical ground state of monatomic solids. QSATS is designed to treat Boltzmann quantum solids, in which individual atoms are permanently associated with distinguishable crystal lattice sites and...

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Bibliographische Detailangaben

Veröffentlicht in:	Computer physics communications 2011-11, Vol.182 (11), p.2339-2349
1. Verfasser:	Hinde, Robert J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Computer simulation Density Ground state Integrals Mathematical models Parallel processing Potential energy Quantum Monte Carlo Quantum solids
Online-Zugang:	Volltext
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