Bulletin of the American Physical Society
APS March Meeting 2014
Volume 59, Number 1
Monday–Friday, March 3–7, 2014; Denver, Colorado
Session C1: Poster Session I (14:00 - 17:00)
2:00 PM,
Monday, March 3, 2014
Room: Exhibit Hall F
Abstract ID: BAPS.2014.MAR.C1.162
Abstract: C1.00162 : A reparametrization approach of the B3LYP functional based on the equilibrium temperature of the spin crossover
Preview Abstract Abstract
Authors:
Ahmed Slimani
(Department of Chemical System Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan)
Xuefang Yu
(Department of Chemical System Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan)
Azusa Muraoka
(Department of Physics, Meiji University1-1-1, Higashi-Mita, Tama-Ku, Kawasaki-shi, Kanagawa 214-8571, Japan)
Kamel Boukheddaden
(Groupe d'Etude de la mati\`ereCondens\'ee, CNRS-Universit\'e de Versailles 45, Avenue des Etats Unis, 78035 Versailles, France)
Koichi Yamashita
(Department of Chemical System Engineering, The University of Tokyo 7-3-1, Hongo, Bunkyo-Ku, Tokyo 113-8656, Japan)
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2014.MAR.C1.162
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