Self-consistent-field calculations using Chebyshev-filtered subspace iteration

Keyphrases

• Chebyshev 100%
• Self-consistent Field Iteration 100%
• Subspace Iteration 100%
• Self-consistent Field Methods 100%
• Eigenvalue Problem 50%
• Chebyshev Polynomials 50%
• Density Functional Theory 25%
• Self-consistency 25%
• Eigen 25%
• Invariant Subspace 25%
• Number of Steps 25%
• Eigenvalue Calculation 25%
• Computational Demand 25%
• Eigenproblem 25%
• Polynomial Filter 25%
• Eigensolver 25%
• Iterative Eigensolver 25%

Engineering

• Eigenvalue 100%
• Invariant Subspace 33%