A proximal gradient method for ensemble density functional theory
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- scientific article; zbMATH DE number 5371722
Cites work
- scientific article; zbMATH DE number 1735946 (Why is no real title available?)
- scientific article; zbMATH DE number 2152892 (Why is no real title available?)
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Cited in
(17)- A New First-Order Algorithmic Framework for Optimization Problems with Orthogonality Constraints
- Gradient flow based Kohn-Sham density functional theory model
- A brief introduction to manifold optimization
- Efficient numerical methods for computing the stationary states of phase field crystal models
- Adaptive quadratically regularized Newton method for Riemannian optimization
- An unconditionally energy-stable and orthonormality-preserving iterative scheme for the Kohn-Sham gradient flow based model
- A parallel orbital-updating based optimization method for electronic structure calculations
- A conjugate gradient method for electronic structure calculations
- Efficient orbital-wise splitting SAV schemes for the Kohn-Sham gradient flow based model
- An alternate gradient method for optimization problems with orthogonality constraints
- Direct minimization for ensemble electronic structure calculations
- Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems
- KSSOLV 2.0: an efficient Matlab toolbox for solving the Kohn-Sham equations with plane-wave basis set
- Localized density matrix minimization and linear-scaling algorithms
- Gradient type optimization methods for electronic structure calculations
- Parallelizable Algorithms for Optimization Problems with Orthogonality Constraints
- An orthonormal gradient flow for computing ground state solution of two-dimensional dipolar fermion gas
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