Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

Keyphrases

• Effective Potential 100%
• Structure-property Relationships 50%
• Equilibrium Structure 50%
• Spectroscopic Properties 50%
• Eigenvalue Equation 50%
• Core Electrons 50%
• Periodic Table 50%
• Gaussian Basis Sets 50%
• All-electron Calculations 50%
• Molecular Calculations 50%
• Energy Optimized 50%
• Dependent Components 50%
• Gaussian Expansion Method 50%
• Basis Set Expansion 50%
• P Orbital 50%

Mathematics

• Effective Potential 100%
• Gaussian Distribution 100%
• Eigenvalue Equation 50%
• Periodic Table 50%

Chemistry

• Gaussian Distribution 100%