A spectral scheme for Kohn-Sham density functional theory of clusters

Mathematics

• Density Functional Theory 97%
• Spectrality 50%
• Electronic Structure 32%
• Spectral Methods 22%
• Convergence Properties 20%
• Pseudopotential 16%
• Parallelization 13%
• Eigenfunction Expansion 13%
• Spherical Functions 13%
• Spherical Harmonics 13%
• Electrostatics 13%
• Periodic Systems 12%
• Orthonormal 12%
• Plane Wave 12%
• Bessel Functions 11%
• Chebyshev Polynomials 11%
• High Accuracy 11%
• Electron 11%
• Symmetry Group 11%
• Periodicity 11%
• Benchmark 10%
• Molecules 10%
• Basis Functions 10%
• Filter 9%
• Methodology 8%
• Subspace 7%
• Observation 7%
• Iteration 7%
• Term 5%
• Arbitrary 5%

Engineering & Materials Science

• Density functional theory 100%
• Electronic structure 39%
• Crystal symmetry 23%
• Point groups 21%
• Bessel functions 18%
• Set theory 17%
• Hamiltonians 15%
• Time varying systems 15%
• Electrostatics 14%
• Eigenvalues and eigenfunctions 14%
• Electrons 13%
• Molecules 13%
• Polynomials 10%

Physics & Astronomy

• density functional theory 51%
• spectral methods 32%
• eigenvectors 23%
• electronic structure 20%
• Bessel functions 16%
• spherical harmonics 15%
• pseudopotentials 13%
• iteration 13%
• periodic variations 12%
• polynomials 11%
• plane waves 11%
• methodology 10%
• electrostatics 10%
• filters 9%
• expansion 8%
• symmetry 7%
• molecules 7%
• electrons 5%