Next: 9 FILE HANDLING Up: 8.13 One-electron operators and Previous: 8.13.1 Example for computing

8.13.2 Example for computing relativistic corrections

Input: ar2_rel.com

Output: ar2_rel.out

This jobs shows at the end the following variables:

 MASSV1 / AU            =         5.62727631
 MASSV2 / AU            =         5.62727631
 MASSV / AU             =        11.25455263
 DARW / AU              =       -14.84963789
 EREL / AU              =        -3.59508526



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000