[Columbus] non-adiabtic coupings: cartesian coordinates and internal coordinates

[guanyafu at dicp.ac.cn]

Hello Everyone,
    In Columbus, one can get two sets of non-adiabtic coupings: cartesian coordinates and internal coordinates.
    I'm wondering how these two sets of couplings are related and how to convert one into the other. 
Thanks.


Yafu Guan
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics, CAS
Dalian 116023, China
Tel.: +86-411-84379733
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.osu.edu/pipermail/columbus/attachments/20171106/a21d1f88/attachment.html>