High-accuracy calculation of nuclear quadrupole moments of atomic halogens

Keyphrases

• All-electron 50%
• Breit Interaction 50%
• Dirac-Coulomb Hamiltonian 50%
• Double Excitation 50%
• Electric Field Gradient 50%
• Finite Field Approach 50%
• Fock-space Coupled Cluster Calculations 50%
• Gaussian Type Function 50%
• Halogen Atoms 50%
• Halogens 100%
• High-Accuracy Calculation 100%
• Large Bases 50%
• Molecular Calculations 50%
• Nuclear Quadrupole Coupling Constants 50%
• Nuclear Quadrupole Moments 100%
• Single Excitation 50%

Chemistry

• Coupled Cluster Methods 33%
• Electric Field Gradient 33%
• Gaussian Distribution 33%
• Halogen 100%
• Nuclear Quadrupole Coupling Constant 33%
• Quadrupole Moment 100%