Turbo charging time-dependent density-functional theory with Lanczos chains

Chemical Compounds

• Plane Wave 100%
• Ground State 59%
• Density Matrix 51%
• Pseudopotential 47%
• Density Functional Theory 46%
• Perturbation Theory 43%
• C60 Fullerene 43%
• Hamiltonian 43%
• Polarizability 38%
• Orbital 31%
• Benzene 26%
• Reduction 17%
• Time 13%
• Molecule 13%
• Application 11%

Physics & Astronomy

• charging 69%
• density functional theory 57%
• plane waves 31%
• ground state 24%
• chlorophylls 23%
• fullerenes 19%
• pseudopotentials 18%
• benzene 18%
• functionals 17%
• extrapolation 17%
• electrons 15%
• perturbation theory 15%
• grids 15%
• operators 13%
• orbitals 13%
• formulations 12%
• coefficients 10%
• molecules 10%