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40.9.1 Optimization criterion
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40 THE VB PROGRAM
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40.8 Permuting orbitals
40.9 Optimization control
Subsections
40.9.1 Optimization criterion
40.9.2 Number of iterations
40.9.3 CASSCF-projected structure coefficients
40.9.4 Saddle-point optimization
40.9.5 Defining several optimizations
40.9.6 Multi-step optimization
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Aug 2, 2008