[molpro-user] H12 matrix elements

Qadir Timerghazin qadir.timerghazin at gmail.com
Sun Jun 11 23:18:27 BST 2006

Is there a way to calculate the off-diagonal Hamiltonian matrixelements for twostates <Psi1|H|si2> with Molpro?
Thank you.
Best regards,
Qadir Timerghazin
-- ****************************************************************************Dr. Qadir K. TimerghazinCentre for Research in Molecular Modeling (CERMM)
Concordia UniversityRichard J. Renaud Science Complex7141 Sherbrooke St.WestMontréal, Québec, CANADA H4B 1R6
Phone: (514) 848 2424 x3336****************************************************************************

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