Abstract
Recent advances have improved the sophistication of computational methods so that many open issues in the electronic structure of specific materials can be directly addressed. Three examples are presented to illustrate the diversity of the methods and the problems that can be explored: the transition between singlet semiconducting and ferromagnetic metallic phases in isostructural transition metal compounds FeSi and FeGe, the evolution from metal to insulator in the isoelectronic alloy series Ca 2− x Sr x RuO 4 and the sometimes contrasting, sometimes similar effect of the magnetically inert dopants Zn and Li in the cuprates.
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