Staggered mesh method for correlation energy calculations of solids: Second order Møller-Plesset perturbation theory
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DOI: 10.1021/acs.jctc.1c00207
Abstract: The calculation of the MP2 correlation energy for extended systems can be viewed as a multidimensional integral in the thermodynamic limit, and the standard method for evaluating the MP2 energy can be viewed as a… read more here.
Keywords: mesh method; staggered mesh; correlation energy; method ... See more keywords