Are threre adc(2)/ricc2 energy gradients for triplet excited states?

[evgeniy]

Hello,

I wonder if adc(2)/ricc2 analytical energy gradients are available for triplet excited states?
Thanks!

Best regards,
Evgeniy

[Arnim]

Hi Evgeniy,

this is possible.
The keywords would look something like this:
$ricc2
  cc2
  geoopt model=cc2 state=(a{3} 1)
$excitations
  irrep=a  multiplicity=  3  nexc=  1

Cheers,

Arnim

[evgeniy]

Hi Arnim,

Many thanks!

Best regards,
Evgeniy