화학공학소재연구정보센터
Journal of Chemical Physics, Vol.105, No.2, 581-587, 1996
Response Theory for Static and Dynamic Polarizabilities of Excited-States
We demonstrate a fully analytical method for calculations of excited state static and dynamic polarizabilities. From the double residues of a single reference state cubic response function all excited state polarizabilities can be determined. The method forms also a basis for calculations of excited state hyperpolarizabilities through the finite-field approach. A demonstration is given for the first excited state polarizabilities and hyperpolarizabilities of long polyene chains.