Development and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f–d transitions by density functional theory-Reference-Cited by-同舟云学术

Development and applications of the LFDFT: the non-empirical account of ligand field and the simulation of the f–d transitions by density functional theory

Published:2015 Issue:28 Volume:17 Page:18547-18557
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ramanantoanina Harry¹²³,Sahnoun Mohammed⁴⁵⁶⁷,Barbiero Andrea¹²³,Ferbinteanu Marilena⁸⁹¹⁰¹¹¹²,Cimpoesu Fanica¹³¹⁴¹²

Affiliation:

1. Department of Chemistry of the University of Fribourg (Switzerland)

2. 1700 Fribourg

3. Switzerland

4. Laboratoire de Physique de la Matière et Modélisation Mathématique

5. LPQ3M

6. Université de Mascara

7. Algeria

8. Faculty of Chemistry

9. Inorganic Chemistry Department

10. University of Bucharest

11. Bucharest 0206462

12. Romania

13. Institute of Physical Chemistry

14. Bucharest 060021

Abstract

Spectral profiles for f → d transitions in CaF₂:Eu²⁺and SrCl₂:Eu²⁺were simulated using LFDFT.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP02349A

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5. B. N. Figgis and M. A.Hitchman, Ligand Field Theory and Its Applications, Wiley-VCH, New York, 2000

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