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.
- 品牌: Springer Nature B.V
- 类别: 计算机与互联网
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语言: English
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作者: David D. ORegan
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出版日期: 2011-09-25
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页数: 232
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出版社/标签: Springer Nature B.V
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格式: Hardcover
- Fruugo ID: 557251466-1125521329
- ISBN: 9783642232374
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