Articles with "energy theory" as a keyword



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Many-Body Effective Energy Theory: photoemission at strong correlation.

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Published in 2019 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.9b00427

Abstract: In this work we explore the performance of a recently derived many-body effective energy theory for the calculation of photoemission spectra in the regime of strong electron correlation. We apply the theory to paramagnetic MnO,… read more here.

Keywords: body effective; theory; many body; correlation ... See more keywords