Optimized local basis set for Kohn-Sham density functional theory (Q440653): Difference between revisions

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+E. Weinan
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+SelInv
@@ Property / describes a project that uses: SelInv / rank @@
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+MaRDI publication profile
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+W2141059065
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+.0966
@@ Property / arXiv ID: 1108.0966 / rank @@
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@@ Property / cites work @@
+Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
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+Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
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+Ab initio molecular simulations with numeric atom-centered orbitals
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+Nonconforming Elements in the Finite Element Method with Penalty
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+An Interior Penalty Finite Element Method with Discontinuous Elements
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+Pole-based approximation of the Fermi-Dirac function
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+SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix
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+GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
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