| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383691 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Physical origin of electronic excitations can be systematically investigated. ⺠TDDFT with LC hybrid functionals can produce physical origins similar as EOM-CCSD. ⺠Excitations assignment can be performed even when group theory is not applicable. ⺠Clear physical insights of excitations of complex biomolecules can be obtained. ⺠Transition origin variation due to environments can be studied.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jian-Hao Li, Jeng-Da Chai, Guang-Yu Guo, Michitoshi Hayashi,