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Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO

Authors :
Saber, Gueddida
Zeyin, Yan
Iurii, Kibalin
Ariste Bolivard, Voufack
Nicolas, Claiser
Mohamed, Souhassou
Claude, Lecomte
Béatrice, Gillon
Jean-Michel, Gillet
Source :
The Journal of chemical physics. 148(16)
Publication Year :
2018

Abstract

In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO

Details

ISSN :
10897690
Volume :
148
Issue :
16
Database :
OpenAIRE
Journal :
The Journal of chemical physics
Accession number :
edsair.pmid..........5742cb7a34dfead494ecc60c883ca40c