Dear all,

I'm trying to calculate Spin-Orbit Coupling between S1 and T1 states at either the CC2 or ADC(2) level.

In the control file I type:

`$ricc2`

cc2

$laplace

conv=6

$excitations

irrep=a nexc=1 multiplicity=1

irrep=a nexc=1 multiplicity=3

tmexc operators=(diplen,soc) freq=0.0d0 istates=(a{1} 1) fstates=(a{3} 1)

but it doesn't yield the desired type of calculations.

does anyone has some experience with this type of calculations?

Ofer.