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44.1 Introduction
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43.15 Examples
Contents
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44 SPIN-ORBIT-COUPLING
Subsections
44.1 Introduction
44.2 Calculation of SO integrals
44.3 Calculation of individual SO matrix elements
44.4 Approximations used in calculating spin-orbit integrals and matrix elements
44.5 Calculation and diagonalization of the entire SO-matrix
44.6 Modifying the unperturbed energies
44.7 Examples
molpro@molpro.net 2018-04-19
