Theoretical Third-Order Hyperpolarizability of Paratellurite from the Finite Field Perturbation Method

Density functional theory was used to estimate the third-order hypersusceptibility χ(3) of the α-TeO2 paratellurite (as a model structure for TeO2 glass) and the same value for α-SiO2 cristobalite (as a model structure for glassy silica). The attempt was made to gain a physical insight into the natu...

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Veröffentlicht in:	The journal of physical chemistry. B 2008-09, Vol.112 (35), p.10777-10781
Hauptverfasser:	Yahia, Mouna Ben, Orhan, Emmanuelle, Beltrán, Armando, Masson, Olivier, Merle-Méjean, Thérèse, Mirgorodski, Andreï, Thomas, Philippe
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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