By use of the Keldysh non-equilibrium Green’s-function methods, the third harmonic susceptibilities of two polyaniline families, PANI-HCl and PANI-H 3PO 4, are calculated [ x (3) ( ω )≈10 -12 esu]. It was found tha...By use of the Keldysh non-equilibrium Green’s-function methods, the third harmonic susceptibilities of two polyaniline families, PANI-HCl and PANI-H 3PO 4, are calculated [ x (3) ( ω )≈10 -12 esu]. It was found that the third harmonic susceptibility of polyaniline strongly depends on the delocalization of the electrons. The refractive indices n ( λ =589 nm) of PANI-HCl and PANI-H 3PO 4 are calculated by use of three common methods (the Lorentz-Lorentz theoretical model, the Gladstone-Dale group contribution and the Vogel group correlation) based on group contributions to molar refraction. The calculated n values are varied from 1.31 to 1.42 for PANI-HCl and 1.36 to 1.45 for PANI-H 3PO 4.展开更多
文摘By use of the Keldysh non-equilibrium Green’s-function methods, the third harmonic susceptibilities of two polyaniline families, PANI-HCl and PANI-H 3PO 4, are calculated [ x (3) ( ω )≈10 -12 esu]. It was found that the third harmonic susceptibility of polyaniline strongly depends on the delocalization of the electrons. The refractive indices n ( λ =589 nm) of PANI-HCl and PANI-H 3PO 4 are calculated by use of three common methods (the Lorentz-Lorentz theoretical model, the Gladstone-Dale group contribution and the Vogel group correlation) based on group contributions to molar refraction. The calculated n values are varied from 1.31 to 1.42 for PANI-HCl and 1.36 to 1.45 for PANI-H 3PO 4.
