CCL: Output of Coulomb and exchange integrals

[Ljiljana <stojanovicmljiljana(~)gmail.com>]

 No, I believe you have to extract molecular orbitals with CUBEGEN utility and to
 calculate Coulomb and exchange integrals by yourself.

2012/2/9 Nicolas Ferré nicolas.ferre^univ-provence.fr <owner-chemistry|-|ccl.net>

Sent to CCL by: =?ISO-8859-1?Q?Nicolas_Ferr=E9?= [nicolas.ferre .. univ-provence.fr]
Dear CCLers,

I'm looking for any code that can output some selected Coulomb and
exchange integrals over a set of canonical or natural orbitals. Any
hint?

Thanks

Nicolas Ferre'
*** New address, new e-mail ***
Universite' d'Aix-Marseille
Institut de Chimie Radicalaire - UMR 7273
13397 Marseille Cedex 20, France
Phone: +33 413550532
E-mail: nicolas.ferre[*]univ-amu.fr



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