Parallel self-consistent-field calculations via Chebyshev-filtered subspace acceleration

Mathematics

• Chebyshev 97%
• Density Functional Theory 71%
• Subspace 69%
• Iteration 64%
• Diagonalization 58%
• Eigenvalue Problem 43%
• Self-consistency 35%
• Subspace Methods 32%
• Standards 27%
• Speedup 26%
• Iteration Method 25%
• Filtering 24%
• Eigenvector 22%
• Numerical Results 16%
• Computing 15%
• Class 7%

Physics & Astronomy

• self consistent fields 100%
• iteration 95%
• eigenvalues 33%
• density functional theory 30%
• central processing units 19%
• eigenvectors 17%