## Abstract We propose a new simple scheme for self‐interaction correction (SIC) of exchange functionals in the density functional theory. In the new scheme, exchange energies are corrected by substituting exchange self‐interactions for exchange functionals in regions of self‐interaction. To classi
✦ LIBER ✦
Magnetizabilities at Self-Interaction-Corrected Density Functional Theory Level
✍ Scribed by Johansson, Mikael P.; Swart, Marcel
- Book ID
- 126262256
- Publisher
- American Chemical Society
- Year
- 2010
- Tongue
- English
- Weight
- 655 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1549-9618
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Regional self-interaction correction of
✍
Takao Tsuneda; Muneaki Kamiya; Kimihiko Hirao
📂
Article
📅
2003
🏛
John Wiley and Sons
🌐
English
⚖ 141 KB
Communication: Self-interaction correcti
✍
Pederson, Mark R.; Ruzsinszky, Adrienn; Perdew, John P.
📂
Article
📅
2014
🏛
American Institute of Physics
🌐
English
⚖ 347 KB
Modified regional self-interaction corre
✍
Ayako Nakata; Takao Tsuneda; Kimihiko Hirao
📂
Article
📅
2009
🏛
John Wiley and Sons
🌐
English
⚖ 177 KB
## Abstract A modified regional self‐interaction correction (mRSIC) method is proposed for obtaining accurate core‐excitation energies in time‐dependent density functional theory (TDDFT) calculations. The mRSIC method is an improvement of the RSIC method (Tsuneda et al. J Comput Chem 2003, 24, 1592
Transition-metal oxides in the self-inte
✍
Svane, A.; Gunnarsson, O.
📂
Article
📅
1990
🏛
The American Physical Society
🌐
English
⚖ 173 KB
Accurate interaction energies at density
✍
Krishtal, Alisa; Vanommeslaeghe, Kenno; Olasz, András; Veszprémi, Tamás; Van
📂
Article
📅
2009
🏛
American Institute of Physics
🌐
English
⚖ 334 KB
Self-interaction Free Relativistic Spin-
✍
Ködderitzsch, D.; Ebert, H.; Engel, E.; Akai, H.
📂
Article
📅
2010
🏛
Oldenbourg Wissenschaftsverlag
🌐
German
⚖ 531 KB