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Cubic response

 

tex2html_wrap9557

The static second hyperpolarizability   tex2html_wrap_inline9555 , all components of which may be obtained by the following input

**DALTON INPUT
.RUN RESPONSE
**WAVE FUNCTIONS
.HF
**RESPONSE
*CUBIC
.DIPLEN
*END OF INPUT

We mentioned above (Sec. gif) that the "diagonal" double residue   of the quadratic response function is the change in the expectation value relative to the reference state. The analogue for cubic response functions is the change in polarizability   relative to the reference state polarizability, which is demonstrated by the following input.

**DALTON INPUT
.RUN RESPONSE
**WAVE FUNCTIONS
.HF
**RESPONSE
*CUBIC
.DOUBLE RESIDUE
.DIPLNZ
.FREQUENCIES
 1
 0.01
.ROOTS
  1 0 0 0
*END OF INPUT



Kenneth Ruud
Sat Apr 5 10:26:29 MET DST 1997