Efficient treatment of the Hartree interaction in the relativistic Kohn-Sham problem

Keyphrases

• Effective Treatment 100%
• Matrix Elements 100%
• Hartree 100%
• Kohn-Sham 100%
• Relativistic Transformations 100%
• Computational Effort 50%
• Interaction Terms 50%
• Analytic Expression 50%
• Implementation Results 50%
• Dirac 50%
• Energy Functional 50%
• Two-component 50%
• Coulomb 50%
• Uncertainty Sources 50%
• High Angular Momentum 50%
• Kinetic Imbalance 50%
• Diatomic Molecules 50%
• Spherically Symmetric 50%
• Auxiliary Function 50%
• G-tensor 50%
• Self-interaction 50%
• Auxiliary Basis Sets 50%
• Identity Resolution 50%
• Electron Charge Density 50%
• Approximate Implementation 50%
• Density Fitting 50%
• Hartree Term 50%
• Relativistic Density Functional Theory 50%
• Change of picture 50%

Engineering

• Matrix Element 100%
• Computational Effort 50%
• Electron Level 50%
• Charge Density 50%
• Energy Functional 50%
• Angular Momentum 50%
• Auxiliary Function 50%

Chemistry

• Density Functional Theory 100%
• Charge Density 100%
• Diatomic Molecule 100%
• Angular Momentum 100%