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Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits

Molecular Qubits and Magnets

Publication Details

  • Authors: A. Sauza-de la Vega, R. Pandharkar, G. D. Stroscio, A. Sarkar, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 428
  • Year: 2022
  • Journal: JACS Au
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Full Citation

A. Sauza-de la Vega, R. Pandharkar, G. D. Stroscio, A. Sarkar, D. G. Truhlar, and L. Gagliardi, Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits, JACS Au, 2022, 2, 2029–2037. DOI: 10.1021/jacsau.2c00306