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...

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Bibliographic Details
Main Authors: Haider Abbas, Mohd. Shkir, S. AlFaify
Format: Article
Language:English
Published: Elsevier 2019-12-01
Series:Arabian Journal of Chemistry
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535215000453