Electronic structure, properties, and ph
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V. Milman; B. Winkler; J. A. White; C. J. Pickard; M. C. Payne; E. V. Akhmatskay
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Article
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2000
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John Wiley and Sons
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English
โ 243 KB
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Recent developments in density functional theory (DFT) methods applicable to studies of large periodic systems are outlined. During the past three decades, DFT has become an essential part of computational materials science, addressing problems in materials design and processing. The theory allows u