scientific article; zbMATH DE number 833634
zbMATH Open0837.65137MaRDI QIDQ4860100FDOQ4860100
Authors: E. B. Stechel 
Publication date: 21 May 1996
Title of this publication is not available (Why is that?)
Recommendations
- Large scale density functional calculations
- Orbital minimization with localization
- Linear-scaling density-functional-theory calculations of electronic structure based on real-space grids: Design, analysis, and scalability test of parallel algorithms
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- Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method
Hartree-Fock equationmolecular dynamics simulationKohn-Sham equationelectronic structure calculationscondensed matterlarge scale calculationsmolecular systemslinear scaling algorithmsSchrödinger equationelectronic distributionlocal density functional calculations
NLS equations (nonlinear Schrödinger equations) (35Q55) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Applications to the sciences (65Z05)
Cited In (13)
- Linear scaling and the DIRECT algorithm
- Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations
- Title not available (Why is that?)
- A sub-linear scaling algorithm for computing the electronic structure of materials
- Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
- Low complexity algorithms for electronic structure calculations
- Orbital minimization with localization
- Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method
- Large-scale semidefinite programs in electronic structure calculation
- Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
- Large scale density functional calculations
- Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories
- Dedicated hardware for linearly-scaling algorithms in condensed-matter physics
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