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Hasil Pencarian

Ditemukan 2 dokumen yang sesuai dengan query
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Marques, Miguel A.L., editor
"This book offers systematic coverage of recent developments in time-dependent density functional theory, including basic concepts, and contemporary applications from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport."
Berlin : [Springer, ], 2012
e20425139
eBooks  Universitas Indonesia Library
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O’Regan, David D.
"The dependence on the choice of these projections is studied in detail here and a method to overcome this ambiguity in DFT+U, by self-consistently determining the projections, is introduced. The author shows how nonorthogonal representations for electronic states may be used to construct these projections and, furthermore, how DFT+U may be implemented with a linearly increasing cost with respect to system size. The use of nonorthogonal functions in the context of electronic structure calculations is extensively discussed and clarified, with new interpretations and results, and, on this topic.
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Berlin : Springer, 2012
e20425283
eBooks  Universitas Indonesia Library