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The property program allows the evaluation of one-electron operators and expectation
values. Normally, the operators are computed automatically when using the
global GEXPEC directive (see section 4.13) or the
EXPEC or TRAN commands in the SCF, MCSCF, and CI programs.
The explicit use of the property program is only necessary in the rare
case that the user is interested in an orbital analysis of the properties.
Subsections
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002