Browsing Physics and Astronomy publications (MU) by Title "Spin gaps and spin-flip energies in density-functional theory"

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  • Spin gaps and spin-flip energies in density-functional theory 

    Capelle, K.; Vignale, Giovanni, 1957-; Ullrich, Carsten A. (American Physical Society, 2010)
    Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation ...