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Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface

Electronic Structure - Methods

Publication Details

  • Authors: A. Mitra, M. R. Hermes, M. Cho, V. Agarawal, and L. Gagliardi
  • Publication Number: 422
  • Year: 2022
  • Journal: J. Phys. Chem. Lett.

Full Citation

A. Mitra, M. R. Hermes, M. Cho, V. Agarawal, and L. Gagliardi, Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface, J. Phys. Chem. Lett., 2022, 13, 7483–7489. DOI: 10.1021/acs.jpclett.2c01915