Article ID Journal Published Year Pages File Type
5384748 Chemical Physics Letters 2011 5 Pages PDF
Abstract
► The highly accurate coupled cluster singles-and-doubles (CCSD) response approach is employed to calculate the dynamic second-order hyperpolarizabilities γ(−3ω; ω, ω, ω) of the Si2C and Si3C clusters. ► The Si2C and Si3C cluster are potential candidates for THG nonlinear optical materials in the infrared range. ► A comparison is made with the γ values of the Si3 and Si4 clusters.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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