CCL: fermi-amaldi factor

Good morning!

I need to include the fermi-amaldi factor in dft (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 as well as on compiling it.

Thank you

Wiliam

Prof. Wiliam Ferreira da Cunha

Núcleo de Física Atômica e Molecular

Instituto de Física
Universidade de Brasília

Campus Darcy Ribeiro - ICC BT 316/67

Telefone: 3107-7718

http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4137698T2