Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383520 | Chemical Physics Letters | 2012 | 4 Pages |
Abstract
⺠Symmetrical orthogonalization within linear space of MO. ⺠Separate orthogonalization of occupied and virtual MO subspaces. ⺠Rotational invariance within modified Löwdin population analysis.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Dariusz Szczepanik, Janusz Mrozek,