Convention in the velocity property

[ Molcas user's WWWBoard ]

Posted by Jesus Gonzalez-Vazquez on April 27, 2015 at 16:21:49:

Dear all,

I am using the velocity integrals of MOLCAS to calculate the interaction with an electric field, so I need to know the convention that is used there.

Since it is real and antisymmetric I assumed that it is not the momentum itself what is printed. So it should be the derivative with respect to the electronic coordinates, is it correct of you are using a different sign convention?

Follow Ups:

Post a Followup



if B is 1s22s22p1, what is Li?



[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]