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40 SPIN-ORBIT-COUPLING
Subsections
40.1 Introduction
40.2 Calculation of SO integrals
40.3 Calculation of individual SO matrix elements
40.4 Approximations used in calculating spin-orbit integrals and matrix elements
40.5 Calculation and diagonalization of the entire SO-matrix
40.6 Modifying the unperturbed energies
40.7 Examples
molpro@molpro.net 2012-02-09
