Optimised Projections For The Ab Initio Simulation Of Large And Strongly Correla

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Optimised Projections For The Ab Initio Simulation Of Large And Strongly Correla

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Optimised Projections For The Ab Initio Simulation Of Large And Strongly Correla

An Introduction To Linear-scaling Ab Initio Calculations.- Linear-scaling Dftu For Large Strongly-correlated Systems.- Projector Self-consistent Dftu Using Nonorthogonal Generalised Wannier Functions.-linear-scaling Ab Initio Calculations.-linear-scaling Dftu For Large Strongly Correlated Systems.- Optimised Projections For Strongly-correlated Subspaces.- Projector Self-consistent Dft U Using Nonorthogonal Generalised Wannier Functions.- Subspace Representations In Ab Initio Methods For Strongly Correlated Systems.- Tensorial Consequences Of Projection Optimisation.- Geometric Aspects Of Representation Optimisation.- A Numerical Study Of Geometric Corrections For Representation Optimisation.- Tensorial Aspects Of Calculating Hubbard U Interaction Parameters.- Discussion And Conclusion.- Appendix: Geometric Observations.
  • Fruugo ID: 557251466-1125521329
  • ISBN: 9783642232374
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