| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379681 | Chemical Physics Letters | 2015 | 6 Pages |
Abstract
- A comparison of ADFT and CCSD molecular optical properties (μ, α, β) is presented.
- Good agreement between calculated μ and α ADFT and CCSD values is obtained.
- Hybrid or asymptotically corrected functionals could improve the ADFT β values accuracy.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Anagha S. Karne, Nayana Vaval, Sourav Pal, José M. Vásquez-Pérez, Andreas M. Köster, Patrizia Calaminici,