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Vibrational properties of MnO and NiO from DFT + U-based density functional perturbation theory A. Floris, S. de Gironcoli, E.K.U. Gross, M. Cococcioni, Phys. Rev. B (Rapid Comm) 84, 161102 (2011). |
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½éÉÜһƪ±È½ÏºÃµÄLSDA+UµÄÎÄÕ£¡ ºÜ³¤£¡ Acta Materialia Volume 59, Issue 4, February 2011, Pages 1742-1760 http://www.sciencedirect.com/sci ... i/S1359645410007962 |
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