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Karlheinz Schwarz
The routinely made assumptions for simulating solid materials are briefly summarized, since they need to be critically assessed when new aspects become important, such as excited states, finite temperature, time-dependence, etc. The significantly higher ...
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Ágnes Nagy and Karlheinz Schwarz
The properties of many materials at the atomic scale depend on the electronic structure, which requires a quantum mechanical treatment. The most widely used approach to make such a treatment feasible is density functional theory (DFT), the advances in wh...
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Karlheinz Schwarz, Lu J. Sham, Ann E. Mattsson and Matthias Scheffler
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Ágnes Nagy and Karlheinz Schwarz
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Karlheinz Schwarz, Lu J. Sham, Ann E. Mattsson and Matthias Scheffler
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Karlheinz Schwarz, Rainer Breitling and Christian Allen
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Karlheinz Schwarz, Rainer Breitling and Christian Allen
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