Titlebook: Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems; David D. O‘Regan Book 2012 Springer-Verlag Be

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978-3-642-26973-8Springer-Verlag Berlin Heidelberg 2012

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Optimised Projections for the Ab Initio Simulation of Large and Strongly Correlated Systems978-3-642-23238-1Series ISSN 2190-5053 Series E-ISSN 2190-5061

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David D. O‘ReganReports an important advance in describing strongly correlated electronic systems.Can serve as a standard reference for the electronic structure community.Nominated as an outstanding contribution by t

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Subspace Representations in Ab Initio Methods for Strongly Correlated Systems,We present, in this chapter, a generalised definition of subspace occupancy matrices in ab initio methods for strongly correlated materials, such as DFT+. and DFT+DMFT, which is appropriate to the case of nonorthogonal projector functions.

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