On the analysis of the discretized Kohn-Sham density functional theory

Keyphrases

• Discretized 100%
• Kohn-Sham Equation 100%
• Kohn-Sham Density Functional Theory 100%
• Minimization Problem 66%
• Self-consistent Field Iteration 66%
• Point Map 66%
• Numerical Experiments 33%
• Jacobian 33%
• Experiment-based 33%
• Bounded below 33%
• Charge Density 33%
• Local Convergence 33%
• Global Convergence 33%
• MATLAB Toolbox 33%
• Unoccupied States 33%
• Occupied State 33%
• Global Minimizer 33%
• Local Minimizer 33%
• Simple Mixing 33%
• Kohn-Sham 33%
• Kohn-Sham Total Energy Minimization 33%
• Strong Local Minimizers 33%
• Mixing Schemes 33%

Mathematics

• Fixed Points 100%
• Density Functional 100%
• Local Minimizer 100%
• Minimization Problem 100%
• Local Convergence 50%
• MATLAB 50%
• Positive Constant 50%
• Global Minimizer 50%
• Numerical Experiment 50%
• Charge Density 50%