Article ID Journal Published Year Pages File Type
5379184 Chemical Physics Letters 2016 27 Pages PDF
Abstract

- Determined the electric dipole moments, static dipole polarizabilities and first hyperpolarizabilities.
- Evaluated dynamic dipole polarizabilities, dynamic second-order and also static and dynamic third-order nonlinear optical (NLO) properties.
- Investigated the one-photon absorption (OPA) characterizations.
- Evaluated HOMO, LUMO and the HOMO-LUMO band gaps.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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