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31.9.1 Optimization criterion
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31 THE VB PROGRAM
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31.8 Permuting orbitals
31.9 Optimization control
Subsections
31.9.1 Optimization criterion
31.9.2 Number of iterations
31.9.3 CASSCF-projected structure coefficients
31.9.4 Saddle-point optimization
31.9.5 Defining several optimizations
31.9.6 Multi-step optimization
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000