| 8:22:03 AM PST - Wed, Mar 9th 2016 |
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Good morning!
I need to include the fermi-amaldi factor (multiply the potential by (1-1/N) ) to obtain a KS-equation such as:
[-1/2 \nabla^2 + v(r) + (1-1/N) \int \rho(r')/(|r-r'|)dr' ]\phi=E\phi
in version 6.6. As I'm new to NWChem, I'd appreciate any kind of help on how to perform this slight change in the code.
Thank you
Wiliam
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