I just want to make sure that I correctly understand the output from my calculations of double residues in quadratic response function.

Code: Select all

```
@ Transition moment <B | A - <A> | C> in a.u. for
@ A operator label, symmetry, spin: XDIPLEN 1 0
@ B excited state no., symmetry, spin: 2 1 0
@ C excited state no., symmetry, spin: 10 1 0
@ B and C excitation energies, moment: 0.13044185 0.19720249 -0.01569340
```

If I want to calculate the oscillator strength I just need to harvest the XDIPLEN, YDIPLEN and ZDIPLEN components, add their squares and then

multiply by 2/3 and energy in a.u., the latter being 0.19720249-0.13044185?