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32.14 Examples
33 SPIN-ORBIT-COUPLING
Subsections
33.1 Introduction
33.2 Calculation of SO integrals
33.3 Calculation of individual SO matrix elements
33.4 Calculation and diagonalization of the entire SO-matrix
33.5 Modifying the unperturbed energies
33.6 Examples
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002