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42.9.1 Optimization criterion
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42 THE VB PROGRAM
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42.8 Permuting orbitals
Contents
Index
42.9 Optimization control
Subsections
42.9.1 Optimization criterion
42.9.2 Number of iterations
42.9.3 CASSCF-projected structure coefficients
42.9.4 Saddle-point optimization
42.9.5 Defining several optimizations
42.9.6 Multi-step optimization
molpro@molpro.net 2013-05-24
