[molpro-user] Overlap integrals
ulimirandone at gmail.com
Thu Jan 13 18:09:38 GMT 2011
Hello dear Molpro users,
I am trying to obtain the value of the overlap integrals for 3d orbitals. In
the manual the chapter "Properties and expectation values" does not mention
about how to get the value of S. Could you, please, help me on this? Is it
possible to get this value in the output of single point calculations?
Thank you in advance.
Ulises Miranda Ordóñez
Materials Research Institute
National Autonomous University of Mexico
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