Geometry optimization for Thomas-Fermi type theories for solids

Authors
Blanc, X Le Bris, C
Citation
X. Blanc et C. Le Bris, Geometry optimization for Thomas-Fermi type theories for solids, CR AC S I, 329(6), 1999, pp. 551-556
Citations number
12
Categorie Soggetti
Mathematics
Journal title
COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE I-MATHEMATIQUE
ISSN journal
07644442 → ACNP
Volume
329
Issue
6
Year of publication
1999
Pages
551 - 556
Database
ISI
SICI code
0764-4442(19990915)329:6<551:GOFTTT>2.0.ZU;2-3
Abstract
We study here the problem of geometry optimization for a crystal in the TFW solid-state setting, i.e the problem of minimizing the TFW energy with res pect to the periodic lattice defining the positions of the nuclei. We show the existence of such a minimum. One step of our work consists in derivatin g TFW-type models for polymers and thin films. (C) 1999 Academie des Scienc es/Editions scientifiques et medicales Elsevier SAS.