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Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding

Electronic Structure - Modeling Properties Molecular Qubits and Magnets

Publication Details

  • Authors: S. Verma, A. Mitra, Y. Jin, S. Haldar, C. Vorwerk, M. R. Hermes, G. Galli, and L. Gagliardi
  • Publication Number: 454
  • Year: 2023
  • Journal: J. Phys. Chem. Lett.
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Full Citation

S. Verma, A. Mitra, Y. Jin, S. Haldar, C. Vorwerk, M. R. Hermes, G. Galli, and L. Gagliardi, Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding, J. Phys. Chem. Lett., 2023, 14, 7703–7710. DOI: 10.1021/acs.jpclett.3c01875