RESPONSE THEORY FOR STATIC AND DYNAMIC POLARIZABILITIES OF EXCITED STATES

摘要

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. (C) 1996 American Institute of Physics. [References: 39]