Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
6877650 | Journal of Molecular Graphics and Modelling | 2015 | 8 Pages |
Abstract
Increasing nonlinear optical response: Density functional theory calculation shows that the radical dimers exhibit considerable enhancement of the second hyperpolarizabilities (γyyyy) with respect to the cation dimers. The enhancement is due to the lower transition energy and larger interlayer charge-transfer.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Li Wang, Wen-Yong Wang, Na-Na Ma, Dong-Mei Tian, Jiao Wang, Yong-Qing Qiu,