Subject: SDD for La+++ iin Gaussian 98

From: VITORGE Pierre 094605 <[email-masked]>
Date: Fri, 24 Jan 2003 18:03:01 +0100

Gaussian 98 include predefined Pseudopotentials. Are they OK for calculating
Lanthanum?
Which one can be used? SDD?
Are they special options for chosing large or small core?
With which basis set?

Pierre Vitorge
DEN Saclay DPC/SCPA/LCRE & UMR 8587 (Universite d'Evry-CNRS-CEA)
CEA Saclay  Bat.450 pce 157D
91191 Gif sur Yvette cedex
France
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