[molpro-user] H12 matrix elements

[Qadir Timerghazin]

Hello,
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****************************************************************************