Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 120, 2022 - Issue 19-20: Special Issue of Molecular Physics in Memory of Lutosław Wolniewicz
Special Issue of Molecular Physics in Memory of Lutosław Wolniewicz
Analytic gradients for compressed multistate pair-density functional theory
Jie J. Baoa Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, MN, USA
https://orcid.org/0000-0003-0197-3405View further author information
https://orcid.org/0000-0003-0197-3405View further author information, Matthew R. Hermesb Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, IL, USA;c Argonne National Laboratory, Lemont, IL, USAhttps://orcid.org/0000-0001-7807-2950View further author information
https://orcid.org/0000-0001-7807-2950View further author information, Thais R. Scottb Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, IL, USA;c Argonne National Laboratory, Lemont, IL, USAhttps://orcid.org/0000-0002-5746-5517View further author information
https://orcid.org/0000-0002-5746-5517View further author information, Andrew M. Sandd Department of Chemistry and Biochemistry, Butler University, Indianapolis, IN, USAhttps://orcid.org/0000-0002-7166-2066View further author information
https://orcid.org/0000-0002-7166-2066View further author information, Roland Lindhe Department of Chemistry–BMC, Uppsala University, Uppsala, SwedenCorrespondence[email protected] [email protected] [email protected]
https://orcid.org/0000-0001-7567-8295View further author information
https://orcid.org/0000-0001-7567-8295View further author information, Laura Gagliardib Department of Chemistry, Pritzker School of Molecular Engineering, James Franck Institute, Chicago Center for Theoretical Chemistry, The University of Chicago, Chicago, IL, USA;c Argonne National Laboratory, Lemont, IL, USAhttps://orcid.org/0000-0001-5227-1396View further author information
https://orcid.org/0000-0001-5227-1396View further author information & Donald G. Truhlara Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, MN, USAhttps://orcid.org/0000-0002-7742-7294View further author information
https://orcid.org/0000-0002-7742-7294View further author information show all