UNIVERISTY of WISCONSIN-MADISON

Department of Chemistry

College of Letters & Science
Thu, 07/22/2021 - 3:24pm -- aandrea
TitleMolecular vibrational frequencies from analytic Hessian of constrained nuclear-electronic orbital density functional theory
Publication TypeJournal Article
Year of Publication2021
AuthorsXu, X, Yang, Y
JournalJournal of Chemical Physics
Volume154
Pagination244110
DOI10.1063/5.0055506