Electronic structure of an oxygen vacancy in Al₂O₃ from the results of Ab Initio quantum-chemical calculations and photoluminescence experiments

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Journal of Experimental and Theoretical Physics, Vol. 111, Iss. 6, 2010-01 ,pp. : 989-995

MAIK Nauka/Interperiodica

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Ab initio simulation of the influence of zirconium impurity ions on the atomic and electronic structure of BaTiO₃

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Technical Physics, Vol. 55, Iss. 10, 2010-10 ,pp. : 1443-1446

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Ab initio study of the vibronic structure for the X 2 B 1 and A 2 A 1 electronic states of H 2 O +

By Reuter Willi   Perić Miljenko   Peyerimhoff Sigrid  

Molecular Physics, Vol. 74, Iss. 3, 1991-10 ,pp. : 569-589

Taylor & Francis Ltd

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A new half-metallic ferromagnet K2Cr8O16 predicted by an ab-initio electronic structure calculation

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Journal of Physics: Conference Series , Vol. 200, Iss. 1, 2010-01 ,pp. : 732-745

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Ab initio configuration interaction study on the electronic structure of the X2Σ+, B2Σ+ and 32&Sigma+ states of SiO+

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Molecular Physics, Vol. 101, Iss. 1-2, 2003-01 ,pp. : 131-141

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