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Showing 1 to 4 of 4 for “"electronic structure of matter"”.
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Studies in the electronic structure of matter
Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Minhao Jiang (mjiang14@illinois.edu) on 2013-12-19T22:35:31Z Item is restricted indefinitely.
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Studies in the electronic structure of matter
… in average electron-electron repulsion of initial and final states. The results are consistent with transition rates computed by other authors using a variety of many-electron techniques. It is suggested that wavefunctions determined in the manner described provide a useful …
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Orbital-free density functional theory using higher-order finite differences
… theory for describing the quantum-mechanical electronic structure of matter. In this approach, the intractable problem of interacting electrons is simplified to a tractable problem of non-interacting electrons moving in an effective potential. Even with this simplification, DFT remains …
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Improving first principles-based methods for correlated materials modeling
Since its inception, the widespread use of density functional theory (DFT) as a cost-effective tool for determining the electronic structure of matter has continued to grow in most scientific fields. However, the mean-field description offered by semi-local approximations to the exchangecorrelation …