The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional Theory

Keyphrases

• Effective Core Potential 100%
• Mixed Basis 20%
• Metal Dimer 20%
• Dissociation Curve 20%
• Kohn-Sham Density Functional Theory 20%
• Electron Configuration 20%
• Diatomic System 20%
• Nonmetal Atoms 20%
• All-electron Basis Sets 20%
• Physical Observable 20%

Chemistry

• Density Functional Theory Approaches 25%
• Nonmetal Atom 25%