A Fock space coupled cluster study on the electronic structure of the UO₂, UO₂⁺, U⁴⁺, and U⁵⁺ species

Keyphrases

• Fock Space 100%
• Coupled Cluster 100%
• Electronic Structure 100%
• Dirac 100%
• Cluster Studies 100%
• O2 Molecule 100%
• Clustering Methods 50%
• Three-state 50%
• Non-dynamic 50%
• Spin-orbit Coupling 50%
• Coulomb 50%
• Excited States 50%
• Correlation Energy 50%
• Low Computational Complexity 50%
• Coulomb Hamiltonian 50%
• Intermediate Hamiltonian 50%

Chemistry

• Ground State 100%
• Electronic State 100%
• Coupled Cluster 100%
• Uranium Dioxide 100%
• Excited State 50%
• Spin-Orbit Coupling 50%
• Electron Correlation Energy 50%