The static second hyperpolarizability
,
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. ) 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