Thermoelectrics Near the Mott Localization–Delocalization Transition
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چکیده
Density functional theory based approaches give reliable estimates of the total energy, and are an excellent starting point for computing excited state properties of weakly correlated electron systems. These approaches allows the evaluation of transport coefficients using very limited, or no empirical information, and are beginning to be used in conjunction with data mining techniques and combinatorial searches.
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تاریخ انتشار 2009