From NWChem
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| 10:09:53 AM PDT - Wed, Sep 17th 2014 |
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Dear NWChem users and developers,
I would need to determine the effect of a point charge placed in a certain position on a molecule.
Is it possible to put a single electron in a given position? Do I need to set a static electric field to
stabilize it? Which is the correct directive to do that?
Thank you
Regards
Alessandro
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