Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard- U Correction

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

doi:10.1021/acs.jpca.3c03520

Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard- U Correction

Journal Article · 05 September 2023 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.3c03520· OSTI ID:2421146

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Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States; Department of Materials Science and Engineering, University of Florida, 1885 Stadium Road, Gainesville, Florida 32611, United States; OSTI
Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States; Department of Materials Science and Engineering, University of Florida, 1885 Stadium Road, Gainesville, Florida 32611, United States
Center for Molecular Magnetic Quantum Materials, Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States; Department of Physics and Department of Chemistry, University of Florida, P.O. Box 118435, Gainesville, Florida 32611, 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:: 2421146

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 36 Vol. 127; ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

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Transition Temperature for Spin-Crossover Materials with the Mean Value Ensemble Hubbard- U Correction

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