Dear molpro users, When calculating spin-orbit coupling matrices elements (via the hlsmat routine), I did notice that real and imaginary terms are reported. Whereas I realise that the imaginary terms arise from the x and z components of the SO hamiltonian, and the real matrix element from the y part, the interpretation eludes me. Are the different non-zero terms corresponding to channels for which a SO assisted transition is possible? Is it possible to directly compare the amplitude of those real and imaginary couplings? Any help appreciated.
-- Best regards, Tao-Nhan mailto:[EMAIL PROTECTED] Centre for Research in Molecular Modeling (CERMM) Concordia University
