Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems - Springer Theses - David D. O'Regan - Books - Springer-Verlag Berlin and Heidelberg Gm - 9783642232374 - September 25, 2011
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David D. O'Regan
Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems - Springer Theses 2012 edition

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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.

230 pages, 2 black & white illustrations, 47 colour illustrations

Media Books     Hardcover Book   (Book with hard spine and cover)
Released September 25, 2011
ISBN13 9783642232374
Publishers Springer-Verlag Berlin and Heidelberg Gm
Pages 216
Dimensions 155 × 235 × 15 mm   ·   453 g
Language French  

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