[PDF.18xd] Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems (Springer Theses)

Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems (Springer Theses)

[PDF.nn89] Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems (Springer Theses)

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 |  2013-10-24 | Original language:English | PDF # 1 |  9.21 x.49 x6.14l,.80 | File type: PDF | 216 pages

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||From the Back Cover|Density functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost. |However, there are many important systems for which DFT performs ver

Density functional theory (DFT) has become the standard workhorse for quantum mechanical simulations as it offers a good compromise between accuracy and computational cost.
However, there are many important systems for which DFT performs very poorly, most notably strongly-correlated materials, resulting in a significant recent growth in interest in 'beyond DFT'  methods. The widely used  DFT+U technique, in particular, involves the addition of explicit C...

You easily download any file type for your gadget.Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems (Springer Theses)   |  David D. O'Regan. I have read it a couple of times and even shared with my family members. Really good. Couldnt put it down.

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