[molpro-user] Nonadiabatic coupling matrix calculation

Takao Kobayashi tkoba at rc.m-kagaku.co.jp
Tue Mar 28 02:42:31 BST 2006

Dear MOLPRO users,

I have a very simple question. 
When I calculate nonadiabatic coupling matrix elements by using
which is calculated, < (phi1) | d(phi2)/dR > or < (phi2) | d(phi1)/dR >?

Thank you in advance
Takao Kobayashi

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