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

@@ Property / author @@
-Lin Lin
@@ Property / author: Lin Lin / rank @@
-Normal rank
@@ Property / author @@
-Jian-feng Lu
@@ Property / author: Jian-feng Lu / rank @@
-Normal rank
@@ Property / author @@
-E. Weinan
@@ Property / author: E. Weinan / rank @@
-Normal rank
@@ Property / author @@
+Lin Lin
@@ Property / author: Lin Lin / rank @@
+Normal rank
@@ Property / author @@
+Jian-feng Lu
@@ Property / author: Jian-feng Lu / rank @@
+Normal rank
@@ Property / author @@
+E. Weinan
@@ Property / author: E. Weinan / rank @@
+Normal rank
@@ Property / Mathematics Subject Classification ID @@
+-08
@@ Property / Mathematics Subject Classification ID: 82-08 / rank @@
+Normal rank
@@ Property / Mathematics Subject Classification ID @@
+D35
@@ Property / Mathematics Subject Classification ID: 82D35 / rank @@
+Normal rank
@@ Property / Mathematics Subject Classification ID @@
+D20
@@ Property / Mathematics Subject Classification ID: 82D20 / rank @@
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@@ Property / Mathematics Subject Classification ID @@
+Q55
@@ Property / Mathematics Subject Classification ID: 35Q55 / rank @@
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@@ Property / Mathematics Subject Classification ID @@
+N30
@@ Property / Mathematics Subject Classification ID: 65N30 / rank @@
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@@ Property / Mathematics Subject Classification ID @@
+K10
@@ Property / Mathematics Subject Classification ID: 65K10 / rank @@
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@@ Property / Mathematics Subject Classification ID @@
+F10
@@ Property / Mathematics Subject Classification ID: 65F10 / rank @@
+Normal rank
@@ Property / Mathematics Subject Classification ID @@
+F08
@@ Property / Mathematics Subject Classification ID: 65F08 / rank @@
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@@ Property / Mathematics Subject Classification ID @@
+V45
@@ Property / Mathematics Subject Classification ID: 81V45 / rank @@
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@@ Property / zbMATH DE Number @@
+6068247
@@ Property / zbMATH DE Number: 6068247 / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+electronic structure
@@ Property / zbMATH Keywords: electronic structure / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+Kohn-Sham density functional theory
@@ Property / zbMATH Keywords: Kohn-Sham density functional theory / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+optimized local basis set
@@ Property / zbMATH Keywords: optimized local basis set / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+discontinuous Galerkin
@@ Property / zbMATH Keywords: discontinuous Galerkin / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+trace minimization
@@ Property / zbMATH Keywords: trace minimization / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+molecular dynamics
@@ Property / zbMATH Keywords: molecular dynamics / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+Pulay force
@@ Property / zbMATH Keywords: Pulay force / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+GMRES
@@ Property / zbMATH Keywords: GMRES / rank @@
+Normal rank
@@ Property / zbMATH Keywords @@
+preconditioning
@@ Property / zbMATH Keywords: preconditioning / rank @@
+Normal rank
@@ 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 @@
+Normal rank
@@ Property / cites work @@
+Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
+Normal rank
@@ Property / cites work @@
+Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. I: Total energy calculation
+Normal rank
@@ Property / cites work @@
+Ab initio molecular simulations with numeric atom-centered orbitals
+Normal rank
@@ Property / cites work @@
+Nonconforming Elements in the Finite Element Method with Penalty
+Normal rank
@@ Property / cites work @@
+An Interior Penalty Finite Element Method with Discontinuous Elements
+Normal rank
@@ Property / cites work @@
+Pole-based approximation of the Fermi-Dirac function
+Normal rank
@@ Property / cites work @@
+SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix
+Normal rank
@@ Property / cites work @@
+GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
+Normal rank
@@ links / mardi / name / links / mardi / name @@
+Publication:440653