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31.14 Examples
32 SPIN-ORBIT-COUPLING
Subsections
32.1 Introduction
32.2 Calculation of SO integrals
32.3 Calculation of individual SO matrix elements
32.4 Calculation and diagonalization of the entire SO-matrix
32.5 Modifying the unperturbed energies
32.6 Examples
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000