Mean Value Ensemble Hubbard- U Correction for Spin-Crossover Molecules

Albavera-Mata, Angel; Trickey, S. B.; Hennig, Richard G.

doi:10.1021/acs.jpclett.2c03388

Mean Value Ensemble Hubbard- U Correction for Spin-Crossover Molecules

Journal Article · 21 December 2022 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.2c03388· OSTI ID:2421148

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Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida32611, United States; Department of Materials Science and Engineering, University of Florida, Gainesville, Florida32611, United States; OSTI
Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida32611, United States; Department of Physics and Department of Chemistry, University of Florida, Gainesville, Florida32611, United States
Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida32611, United States; Department of Materials Science and Engineering, University of Florida, Gainesville, Florida32611, United States

Not provided.

Research Organization:: Univ. of Florida, Gainesville, FL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019330

OSTI ID:: 2421148

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 51 Vol. 13; ISSN 1948-7185

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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