Skip to main content

Analytic gradients for compressed multistate pair-density functional theory

Electronic Structure - Methods

Publication Details

  • Authors: J. J. Bao, M. R. Hermes, T. R. Scott, A. M. Sand, R. Lindh, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 431
  • Year: 2022
  • Journal: Mol. Phys.

Full Citation

J. J. Bao, M. R. Hermes, T. R. Scott, A. M. Sand, R. Lindh, L. Gagliardi, and D. G. Truhlar, Analytic gradients for compressed multistate pair-density functional theory, Mol. Phys., 2022, Article ASAP. DOI: 10.1080/00268976.2022.2110534