UT theoretical chemistry code forum

Dear forum, I am trying to use the bader code to calculate dipole moments. The first moment of electron density is as follows: M_{-} = \int_{v} rho(r) * r * dr (1) = \sum_i ( \int_{v(i)} rho(r) * r * dr ) (2) where v(i) is the bader volume associated with atom (i) and rho(r) the electron density [e/...