Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5388208 | Chemical Physics Letters | 2008 | 8 Pages |
Abstract
Mayer's local spin analysis does not only overcome the spurious local spin problem in closed-shell molecules but provides consistent overall local spin data.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Maren Podewitz, Carmen Herrmann, Astrid Malassa, Matthias Westerhausen, Markus Reiher,