Structure-nonlinearity relationship of urea crystal: an ab initio study
Source abstract
Abstract
Abstract Dielectric properties––linear (refractive indices) and nonlinear optical responses––of urea crystal are quantitatively calculated, by ab initio quantum chemistry calculations at the self-consistent field level of theory. The calculated values of the properties of urea crystal can agree well with experimental data and other reports. The present work provides us a useful way to deal with quantum chemistry calculations of molecular crystals such as urea.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Nonlinear Optical Materials Research · Solid-state spectroscopy and crystallography · Crystallography and molecular interactions
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References (9)
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