Optimised Projections for the AB Initio Simulation of Large and Strongly Correlated Systems
(Part of the Springer Theses Series)
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Book Overview
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...
Format:Paperback
Language:English
ISBN:3642269737
ISBN13:9783642269738
Release Date:November 2013
Publisher:Springer
Length:216 Pages
Weight:0.73 lbs.
Dimensions:0.5" x 6.1" x 9.2"
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