Omega value = LSZ?

[emil...@gmail.com]

Dear all,

I thought that the expectation value for LSZ after running a spin-orbit calculation will be giving the Omega value for a diatomic molecule. However, when I use it for a diatomic, I get only zero expectation values. Am I thinking something wrong?

I am using this input for the spin-orbit calculation

{ci;hlsmat,ls,7020.1,7030.1,7040.1;print,vls=0,hls=0;expec,ls}

Thanks,

Evangelos