[Pw_forum] magnetic coupling

[Álvaro Alves]

Hello everyone. I'm trying to calculate the magnetic coupling in a
dinuclear compound of copper. Compared with the experimental results,
we find that the magnitude of the magnetic moments are not good. What
can I try to change parameters to get a better result?

Regards,

A. S. Alves


__________________________________________________
Fale com seus amigos  de graça com o novo Yahoo! Messenger 
http://br.messenger.yahoo.com/ 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090819/6362f30f/attachment.htm