Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?-Reference-Cited by-同舟云学术

Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?

Published:2007-01-07 Issue:1 Volume:126 Page:014105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zein Samir,Borshch Serguei A.,Fleurat-Lessard Paul,Casida Mark E.,Chermette Henry

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2406067

Reference99 articles.

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3. The spin-crossover complex [Fe(tpa)(NCS) 2 ]

4. d → d Spectrum and High-Spin/Low-Spin Competition in d6 Octahedral Coordination Compounds: ab Initio Study of Potential Energy Curves

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