Subject: re:relativistic corrections on TM systems

From: Lutz Ackermann <[email-masked]>
Date: Tue, 18 Apr 95 13:38:41 +0100

in response to CCL request by [email-masked] (e-mail ok???)

Hola Se~nor Zacarias,
you were asking for results on the relevance of relativistic tratment
of transition metal systems. You may want to check out a recent
article by Roesch and Krueger (Munich), in which relativistic
and montelativistic benchmark calculations for MO and MCO are compared
(both LDF and gradient corrected DFT results), M being Ni, Pd and (I 
think) also Pt. It appeared in JCP a few weeks ago.

With best regards
 
 L. Ackermann

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ps: Por que no alegran Uds. con  nuestras flores tambien?
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