Pair 2-electron reduced density matrix theory using localized orbitals

Keyphrases

• Localized Orbitals 100%
• Two-electron Reduced Density Matrices 100%
• Reduced Density Matrix Theory 100%
• Density Matrix Method 80%
• Full Configuration Interaction 40%
• Computational Scaling 40%
• Hydrogen Chain 40%
• Mean-field 40%
• Multireference 20%
• Dissociation 20%
• Molecular Size 20%
• Interaction Energy 20%
• Correlation Energy 20%
• Localized Molecular Orbitals 20%
• Variational 20%
• Naphthalene 20%
• Time-reversal Symmetry 20%
• Molecular Orbital 20%
• Hartree-Fock 20%
• Occupation number 20%
• Cadmium Telluride 20%
• Quantum State 20%
• Correlated Events 20%
• Acenes 20%
• Reference Correlation 20%
• Strongly Correlated 20%
• Octacene 20%

Chemistry

• Density Matrix 100%
• Configuration Interaction 33%
• Molecular Orbital 33%
• Hydrogen 33%
• Chemistry 16%
• Molecular Size 16%
• Electron Correlation Energy 16%
• Acene 16%
• Telluride(2-) 16%
• Naphthalene 16%
• Octacene 16%