Cubic response

All components of the static second hyperpolarizability defined as $\gamma_{ijkl}(-0;0,0,0)\equiv$ $-\langle\!\langle x_i;x_j,x_k,x_l\rangle\!\rangle_{000}$, may be obtained by the following input

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

As mentioned above (Sec. 12.2.2), 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 DALTON INPUT