The power of exact conditions in electronic structure theory
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DOI: 10.1016/j.cplett.2016.12.017
Abstract: Abstract Once electron correlation is included in an effective one-particle operator, one has a correlated orbital theory (COT). One such theory is Kohn-Sham density functional theory (KS-DFT), but there are others. Such methods have the… read more here.
Keywords: conditions electronic; theory; electronic structure; structure theory ... See more keywords