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04/18/2023
An Augmented Subspace Based Adaptive Proper Orthogonal Decomposition Method for Time Dependent Partial Differential Equations
In this paper, we propose an augmented subspace based adaptive proper or...
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01/18/2022
Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems
In this paper, we investigate the energy minimization model of the ensem...
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11/03/2021
Convergent and orthogonality preserving schemes for approximating the Kohn-Sham orbitals
To obtain convergent numerical approximations without using any orthogon...
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06/02/2021
Convergence and Optimal Complexity of the Adaptive Planewave Method for Eigenvalue Computations
In this paper, we study an adaptive planewave method for multiple eigenv...
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07/15/2019
Gradient Flow Based Discretized Kohn-Sham Density Functional Theory
In this paper, we propose and analyze a gradient flow based Kohn-Sham de...
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06/24/2019