KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations (Q2989066)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations |
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KSSOLV—a MATLAB toolbox for solving the Kohn-Sham equations (English)
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19 May 2017
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Kohn-Sham equations
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planewave discretization
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density functional theory (DFT)
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direct constrained minimization (DCM)
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electronic structure calculation
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nonlinear eigenvalue problem
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pseudopotential
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self-consistent field iteration (SCF)
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