Ab initio calculations for small iodo clusters. Good performance of relativistic effective core potentials

Keyphrases

• Ab Initio Calculations 100%
• QCISD 100%
• Relativistic Effective Core Potential 100%
• Excited States 50%
• Bond Dissociation Energy 50%
• Electron Affinity 50%
• Non-relativistic 50%
• Ab Initio Methods 50%
• Iodine 50%
• Harmonic Frequency 50%
• Equilibrium Bond Lengths 50%
• Force Constants 50%
• Polarization Function 50%
• T-method 50%
• Valence Basis Sets 50%
• Electronic Transition Energy 50%

Chemistry

• Ab Initio Calculation 100%
• QCISD(T) 100%
• Excited State 50%
• Dissociation Energy 50%
• Bond Length 50%
• Electron Affinity 50%
• Electronic Transition 50%
• Calculation Method 50%
• Hartree-Fock Calculation 50%
• Force Constant 50%