Generalization of intrinsic orbitals to Kramers-paired quaternion spinors, molecular fragments, and valence virtual spinors

Author(s):
Senjean, B.; Sen, S.; Repisky, M.; Knizia, G.; Visscher, L.
Published
2021
Publication type
Article / Letter to editor
Date issued
2021-02-08
Language
English
Publisher
American Chemical Society (ACS)
Is part of
Journal of Chemical Theory and Computation (2021), Vol. 17, no. 3, p. 1337-1354
hdl
1887/3278126
doi
10.1021/acs.jctc.0c00964