| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384361 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠The interaction-induced electric properties of hydrogen-bonded complexes are analyzed. ⺠Assessment of the DFT functionals for interaction-induced properties is performed. ⺠DFT allows to well-reproduce the CCSD (T) results for the interaction-induced dipole moment and (hyper) polarizability. ⺠PBE0 performs best of all the analyzed functionals.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
A. Zawada, A. Kaczmarek-KÄdziera, W. Bartkowiak,