[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.
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