[molpro-user] dipole moment with SAPT

Yurii Vlasov vlasov.yura at gmail.com
Thu Oct 21 11:42:41 BST 2010

Dear molpro community,

I have a question concerning the calculation of dipole moments using SAPT.
However, when I apply field 0.001 and -0.001 it gives the same energy. So
the difference always is zero. May be it is not possible to calculate using
MOLPRO? Because for SAPT program itself it is possible.
Thank you in advance

Best regards, Yurii
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20101021/e3140966/attachment.html>

More information about the Molpro-user mailing list