| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385443 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
A spin-flip time dependent density functional theory approach with hybrid non-collinear exchange-correlation kernels predicts lowest singlet and triplet states splittings in Ï,Ï-biradicals with accuracy comparable to best highly correlated ab initio methods.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Zilvinas Rinkevicius, Hans Ã
gren,