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33.1 The property program
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33 PROPERTIES AND EXPECTATION VALUES
Subsections
33.1 The property program
33.2 Distributed multipole analysis
33.3 Mulliken population analysis
33.4 Natural Bond Orbital Analysis
33.5 Finite field calculations
33.6 Relativistic corrections
33.7 CUBE -- dump density or orbital values
33.8 GOPENMOL -- calculate grids for visualization in gOpenMol
molpro@molpro.net 2010-03-11
