Becke charges


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11:17:52 AM PDT - Thu, May 7th 2015
Hello Payal

What exactly are Becke Charges??
Do you know if any other software is able to calculate those?

pdpatel


Quote:Payal.parmar May 4th 12:33 pm
Dear nwchem developers,

Could you please let me know how do I calculate the Becke charges in nwchem.
I could not see any keywords as there is to calculate the Mulliken(Lowdin) charges.

Thanks.
-Payal