CCL: HF method
- From: Arne Dieckmann <adieckma]![googlemail.com>
- Subject: CCL: HF method
- Date: Sun, 17 Apr 2011 22:25:16 +0200
Sent to CCL by: Arne Dieckmann [adieckma|a|googlemail.com]
Dear Bonoit,
please just have a look at the standard textbooks in the field. A quite
comprehensive explanation can be found in Jensen's "Introduction to
Computational Chemistry", a more detailed one in "Modern Quantum
Chemistry" by Szabo and Ostlund.
Arne
-----------------------
Dr. Arne Dieckmann
Bioorganic Chemistry
(Room: NC 2/125)
Ruhr-University Bochum
UniversitÃtsstraÃe 150
44780 Bochum, Germany
phone: +49 234 3224216
email: adieckma]=[googlemail.com
http://www.ruhr-uni-bochum.de/oc1/mitarbeiter/Arne-Dieckmann.html
On Sunday, April 17, 2011 at 12:47 PM, bonoit bonoit bonoit_10!A!yahoo.fr wrote:
>
> Sent to CCL by: "bonoit bonoit" [bonoit_10__yahoo.fr]
> Dear CCLers,
> I'm writing to enquire about the exchange term (Kij) in the Hartree-Fock
method. My question is as follow:
> How c'd the exchange term reduce the energy in HF method?
> And what c'd be the difference between this term and the coulombian one in
the same method HF?
> Thank you in advance
> Sincerely,
> Bonoit>