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

@@ Property / DOI @@
-.1016/j.jcp.2012.03.009
@@ Property / DOI: 10.1016/j.jcp.2012.03.009 / rank @@
-Normal rank
@@ Property / author @@
-Lin Lin
@@ Property / author: Lin Lin / rank @@
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@@ Property / author @@
-Jian-feng Lu
@@ Property / author: Jian-feng Lu / rank @@
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@@ Property / author @@
-E. Weinan
@@ Property / author: E. Weinan / rank @@
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@@ Property / author @@
+E. Weinan
@@ Property / author: E. Weinan / rank @@
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@@ Property / describes a project that uses @@
+SelInv
@@ Property / describes a project that uses: SelInv / rank @@
+Normal rank
@@ Property / MaRDI profile type @@
+MaRDI publication profile
@@ Property / MaRDI profile type: MaRDI publication profile / rank @@
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@@ Property / OpenAlex ID @@
+W2141059065
@@ Property / OpenAlex ID: W2141059065 / rank @@
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@@ Property / arXiv ID @@
+.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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@@ Property / cites work @@
+Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
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@@ Property / cites work @@
+Ab initio molecular simulations with numeric atom-centered orbitals
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@@ Property / cites work @@
+Nonconforming Elements in the Finite Element Method with Penalty
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@@ Property / cites work @@
+An Interior Penalty Finite Element Method with Discontinuous Elements
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@@ Property / cites work @@
+Pole-based approximation of the Fermi-Dirac function
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@@ Property / cites work @@
+SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix
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@@ Property / cites work @@
+GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
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@@ Property / DOI @@
+.1016/J.JCP.2012.03.009
@@ Property / DOI: 10.1016/J.JCP.2012.03.009 / rank @@
+Normal rank