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Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory

Electronic Structure - Methods Molecular Qubits and Magnets

Publication Details

  • Authors: Haldar, A. Mitra, M. Hermes, and L. Gagliardi
  • Publication Number: 446
  • Year: 2023
  • Journal: J. Phys. Chem. Lett.
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Full Citation

S. Haldar, A. Mitra, M. Hermes, and L. Gagliardi, Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory, J. Phys. Chem. Lett., 2023, 14, 4273–4280. DOI: 10.1021/acs.jpclett.3c00551