According to this review paper, page 34: Q-chem has x2c method for the relativistic calculations. However, I could not find any related information in the manual. Can anyone instruct me what relativistic methods are available in q-chem? Thank you.
Michael
I don’t recognize those authors and I’m not sure where they are getting their information but I am unaware that this capability exists in Q-Chem. As you say, it is absent from the manual…
We have code for computing SOCs (spin-orbit couplings) for a variety of methods. I am unaware about X2C developments.