Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

Chemistry

• Density Functional Theory 100%
• Atomic Orbital 100%
• Electronic State 50%
• Pseudopotential 50%
• Electron Density 50%

Keyphrases

• Local Basis Set 100%
• Rapid Oscillations 66%
• Global Domain 33%
• Discretization Scheme 33%
• Electronic Structure Theory 33%
• Handling System 33%
• Used Electronics 33%