Multiple impurities and combined local density approximations in site-occupation embedding theory
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DOI: 10.1007/s00214-018-2368-z
Abstract: Site-occupation embedding theory (SOET) is an in-principle-exact multi-determinantal extension of density-functional theory for model Hamiltonians. Various extensions of recent developments in SOET (Senjean et al. in Phys Rev B 97:235105, 2018) are explored in this… read more here.
Keywords: site occupation; embedding theory; density; site ... See more keywords