[molpro-user] nonadiabatic corrections

Екатерина Максимова eama08 at mail.ru
Wed Apr 2 10:19:08 BST 2014

 Dear Molpro users and developers,

do you  know how to change the Fock matrix in SCF calculations?  It would be desirable to increase the kinetic energy of 2 times. 
Can this  be done using the option FOCK?
Sincerely yours, Ekaterina Maksimova.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20140402/9f68a2fd/attachment.html>

More information about the Molpro-user mailing list