Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo

TitlePerturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
Publication TypeJournal Article
Year of Publication2018
AuthorsDash, M, Moroni, S, Scemama, A, Filippi, C
JournalJournal of Chemical Theory and Computation
Volume14
Pagination4176-4182
URLhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85049359834&doi=10.1021%2facs.jctc.8b00393&partnerID=40&md5=685bd3cc76c616f0a4b7656ff4a4ff7a
DOI10.1021/acs.jctc.8b00393