화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.22, 9674-9676, 1998
A general finite-field scheme for the calculation of frequency-dependent electronic-vibrational hyperpolarizabilities
A rigorous and transparent treatment for determining electronic-vibrational hyperpolarizabilities in the context of the finite-field method is developed. Our emphasis is on the vibrational contributions. The new formulation is more general than previous ones in that it yields properties over the entire frequency range.