Author/Authors :
Yamada، نويسنده , , Satoru and Nakano، نويسنده , , Masayoshi and Shigemoto، نويسنده , , Isamu and Kiribayashi، نويسنده , , Shinji and Yamaguchi، نويسنده , , Kizashi، نويسنده ,
Abstract :
The third-order nonlinear optical susceptibilities for the β-phase crystal of para-nitrophenyl nitronyl nitroxide (p-NPNN), which is an open-shell system with nitroxide radicals, are investigated by the oriented gas model. The second hyperpolarizabilities of p-NPNN are calculated by using the INDO coupled Hartree-Fock method. The largest component of the susceptibilities for the crystal is predicted to be negative as well as that of the second hyperpolarizabilities of p-NPNN.
