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Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

Electronic Structure - Methods

Publication Details

  • Authors: A. Mitra, H. Q. Pham, R. Pandharkar, M. R. Hermes, et al.
  • Publication Number: 403
  • Year: 2021
  • Journal: J. Phys. Chem. Lett.
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Full Citation

A. Mitra, H. Q. Pham, R. Pandharkar, M. R. Hermes, and L. Gagliardi, Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory, J. Phys. Chem. Lett., 2021, 12, 11688–11694 DOI: 10.1021/acs.jpclett.1c03229