[Re:01] spin coupling energy??

Posted on : April 13, 2017 (Thu) 09:28:13

by Administrator

Dear togocha,

the spin orbit coupling constant actually depends on energy. In the output, e means the energy, l and m mean the angular momentum l and its z-component m=l_z.
The spin orbit coupling constant is the constant for each electron. In order to get the total spin orbit coupling constant c, you have to do the usual procedure of obtaining lamda: lamda=c/n when n is less than 2*l+1 and lamda=-c/(4l+2-n) when n is more than 2l+1. Using lamda, the total spin orbit coupling is lamda*L*S, where L and S are the total angular and spin momenta.