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21.4.14 Transition moment calculations

TRANS,readc1,readc2,oper$_1$,oper$_2$,oper$_3$,...;

Instead of performing an energy calculation, only calculate transition matrix elements between wavefunctions saved on records readc1 and readc2. See section 4.13 for a list of available operators and their corresponding keywords. If no operator names are specified, the dipole transition moments are calculated.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002