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: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-12-01
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| Series: | Arabian Journal of Chemistry |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S1878535215000453 |