Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

International Journal of Quantum Chemistry - Tập 114 Số 1 - Trang 14-49 - 2014
Burak Himmetoḡlu1, Andrea Floris2, Stefano de Gironcoli3,4, Matteo Cococcioni1
1Department of Chemical Engineering and Materials Science University of Minnesota, Minneapolis, MN 55455 USA
2Department of Physics, King's College London, London Strand WC2R 2LS, England, United Kingdom
3CNR-IOM DEMOCRITOS Simulation Center, Via Bonomea 265, I-34136 Trieste, Italy
4Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea 265, I-34136 Trieste, Italy

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