TURBOMOLE Users Forum

TURBOMOLE Modules => Ricc2 => Topic started by: anpanda on December 17, 2021, 11:42:59 AM

Title: spin orbit coupling between excited singlet and triplet states
Post by: anpanda on December 17, 2021, 11:42:59 AM

Hello,

Is it possible to compute spin-orbit coupling values between excited singlets and triplet states? We are interested in calculating these at ADC(2) level.

Thank you.

Aditya

Title: Re: spin orbit coupling between excited singlet and triplet states
Post by: christof.haettig on March 24, 2024, 05:42:42 PM

Yes. This has been implemented since some years.