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Multi-orbital cluster perturbation theory for transition metal oxides

✍ Scribed by Manghi, F


Book ID
121483013
Publisher
Institute of Physics
Year
2013
Tongue
English
Weight
508 KB
Volume
26
Category
Article
ISSN
0953-8984

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A Dirac molecular orbital study for enca
✍ Ramiro Arratia-PΓ©rez; LucΓ­a HernΓ‘ndez-Acevedo πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 331 KB

Dirac molecular orbital calculations (DSW-Xa) on the octahedral RuY6122 and OsY6I~2 clusters are reported. The calculated valence relativistic density of states clearly indicates that spin-orbit interaction is strongly acting on each constituent atom of both clusters, thus broadening the cluster val