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. © 1996 American Institute of Physics.

Subject headings

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Publication and Content Type

ref (subject category)

art (subject category)