Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits
Arturo Sauza-de la Vega,
Riddhish Pandharkar,
Gautam D. Stroscio,
Arup Sarkar,
Donald G. Truhlar,
Laura Gagliardi
Affiliations
Arturo Sauza-de la Vega
Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois, United States
Riddhish Pandharkar
Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois, United States
Gautam D. Stroscio
Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois, United States
Arup Sarkar
Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois, United States
Donald G. Truhlar
Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota, United States
Laura Gagliardi
Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois, United States
