| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374145 | Chemical Physics | 2013 | 6 Pages |
Abstract
⺠Electro-optical determined and MP2/DFT computed NLO properties have been compared. ⺠Significant dependence of dipole moments of elongated NLO chromophores on conformations has been found. ⺠A thorough comparison between MP2 and DFT/TD-DFT computational approaches has been carried out. ⺠The two-state model overestimates hyperpolarizability.
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Authors
A. Capobianco, R. Centore, C. Noce, A. Peluso,