[molpro-user] second derivative in mcscf

Oded Godsi godsi at rsc.anu.edu.au
Fri Aug 25 06:35:11 BST 2006

Dear All,
is it possible to calculate second derivatives of the energy in mcscf  
calculation when more then 1 state is calculated. i.e. for two states.


Oded Godsi  godsi at rsc.anu.edu.au
Research School of Chemistry, Room E101
The Australian National University
Canberra, ACT 0200, Australia

Phone (61 2) 6125 8307
Fax (61 2) 6125  5995

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