DFT study of third-order nonlinear susceptibility of a chalcone crystal
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DOI: 10.1016/j.cplett.2018.06.001
Abstract: Abstract The linear and nonlinear properties of a new chalcone derivative, (2E)-3-(3-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one (3MPNP), have been investigated using an iterative electrostatic embedding scheme and density functional theory (DFT) methods with standard (B3LYP) and long-range corrected (CAM-B3LYP)… read more here.
Keywords: nonlinear susceptibility; third order; study third; dft study ... See more keywords