Molcas Forum

Bhumika

Member

Registered: 2024-02-06

Posts: 5

Dipole and Transition Dipole moments is origin independent?

Hello,

I have been looking at comparing dipole and transition dipole moments of different conformations of a 2 molecules system with an overall charge =-2. I wanted to know if Dipole moments and transition dipole vectors computed with RASSI module are origin dependent (considering the system is charged) ? If not, can I calculate the dipole moment corrected by center of mass of the system to the original dipole moment printed by RASSI module. Thanks!