[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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