| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394309 | Computational and Theoretical Chemistry | 2013 | 5 Pages |
Abstract
⺠“Physical” orthogonalization within linear space of occupied MOs. ⺠Scaled occupancy-weighted symmetric orthogonalization. ⺠The atomic attributeness of orthogonalized basis functions.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
D. Szczepanik, J. Mrozek,