Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models (Q2846149)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models |
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Numerical analysis of the planewave discretization of some orbital-free and Kohn-Sham models (English)
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5 September 2013
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\(N\)-body Schrödinger equation
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approximate solutions
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electronic structure calculation
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a priori error estimates
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density functional theory
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Thomas-Fermi-von Weizsäcker model
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Kohn-Sham model
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nonlinear eigenvalue problem
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spectral methods
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Fourier discretization
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molecular simulations
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