| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382934 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠Excited state dipoles and polarizability were calculated by TDDFT and finite-field. ⺠LC-functionals yield more reliable results than the standard hybrid functionals. ⺠LC-functionals are in good agreement with elaborate Coupled cluster calculations. ⺠LC-BLYP functional can be used to estimate excited state electric properties.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Tadeusz Pluta, Maciej Kolaski, Miroslav Medved', Å imon Budzák,