FragPT2: multifragment wave function embedding with perturbative interactions

Author(s):
Koridon, E.F.; Sen, S.; Visscher, L.; Polla, S. (0000-0003-3909-0448)
Published
2025
Publication type
Article / Letter to editor
Date issued
2025-01-10
Language
English
Is part of
Journal of Chemical Theory and Computation (2025), Vol. 21, no. 2, p. 655-669
hdl
1887/4281849
doi
10.1021/acs.jctc.4c01221