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38.9.1 Optimization criterion
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38 THE VB PROGRAM
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38.8 Permuting orbitals
Contents
Index
38.9 Optimization control
Subsections
38.9.1 Optimization criterion
38.9.2 Number of iterations
38.9.3 CASSCF-projected structure coefficients
38.9.4 Saddle-point optimization
38.9.5 Defining several optimizations
38.9.6 Multi-step optimization
molpro@molpro.net 2010-07-28
