Density functional study of spectroscopy, electronic structure, linear and nonlinear optical properties of l-proline lithium chloride and l-proline lithium bromide monohydrate: For laser applications
Using density functional theory (DFT), a systematic study of structure, bonding, vibration, excitation energies and non-linear optical properties has been carried out for noncentrosymmetric l-proline lithium chloride monohydrate and l-proline lithium bromide monohydrate for the first time. The calcu...
Main Authors: | , , |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2019-12-01
|
Series: | Arabian Journal of Chemistry |
Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535215000453 |