ELSI: a unified software interface for Kohn-Sham electronic structure solvers (Q6155743): Difference between revisions

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+Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems
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+\texttt{NWChem}: a comprehensive and scalable open-source solution for large scale molecular simulations
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+Ab initio molecular simulations with numeric atom-centered orbitals
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+Finite-element methods in electronic-structure theory
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+Electronic Structure
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+MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation
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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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+Q4917542
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+Algorithm 807
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+A Divide and Conquer method for the symmetric tridiagonal eigenproblem
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+ScaLAPACK Users' Guide
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+SelInv---An Algorithm for Selected Inversion of a Sparse Symmetric Matrix
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+Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
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+SuperLU_DIST
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+Parallel Symbolic Factorization for Sparse LU with Static Pivoting
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+Preconditioning Orbital Minimization Method for Planewave Discretization
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