[molpro-user] hexadecapole moment

Yurii Vlasov vlasov.yura at gmail.com
Fri Jun 11 09:00:42 BST 2010


Dear Molpro Community,

I still haven't solve the problem of hexadecapole moment calculation using
finite-field method.
May be someone can provide me the working input file for any molecule that
gives CORRECT values of Fzzzz (as an example) (hexadecapole tensor component
in cartesian coordinates). I know how to calculate it as the expectation
value, but I need to do it namely using finite-field. I would be very
appriciated.

Thank you in advance, Yurii
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