Generalized relativistic small-core pseudopotentials accounting for quantum electrodynamic effects: Construction and pilot applications

Keyphrases

• Pseudopotential 100%
• Small Core 100%
• Quantum Electrodynamics Effects 100%
• Excitation Energy 66%
• Order of Magnitude 33%
• Valence 33%
• Simple Procedure 33%
• One-loop 33%
• Inner Core 33%
• Quantum Electrodynamics 33%
• Lamb Shift 33%
• Valence Electrons 33%
• Atomic System 33%
• Core-shell 33%
• Pseudopotential Model 33%
• Principal Quantum number 33%
• Model Space 33%
• Shift Operator 33%
• Fock-space Coupled Cluster Calculations 33%
• Intermediate Hamiltonian 33%
• Relativistic Pseudopotentials 33%
• Quantum Electrodynamics Corrections 33%
• Molecular Excited States 33%
• Excited State Calculations 33%

Chemistry

• Pseudopotential 100%
• Quantum Electrodynamics 100%
• Hartree-Fock Calculation 50%
• Excited State 25%
• Quantum Number 25%
• Lamb Shift 25%
• Coupled Cluster Methods 25%

Physics

• Quantum Electrodynamics 100%
• Pseudopotential 100%
• Self Consistent Field 50%
• Excitation 25%
• Quantum Number 25%