Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

Keyphrases

• Valence 100%
• Photoelectron Spectra 100%
• Multireference 100%
• Spin-orbit Coupling 100%
• Sudden Approximation 100%
• Water Molecule 50%
• Transition Metal Complexes 50%
• 2-complex 50%
• Electronic Structure 50%
• Gas Phase 50%
• Photoionization 50%
• Computationally Efficient Algorithms 50%
• Theoretical Method 50%
• Basis Transformation 50%
• Ion Spectra 50%
• Core Level 50%
• Multiconfigurational 50%
• X-ray Photoelectron Spectra 50%
• Dyson Orbitals 50%
• Core Ionization 50%
• Restricted Active Space 50%
• Self-consistent Field Methods 50%
• Many-Electron Wave Functions 50%

Chemistry

• Photoelectron Spectrum 100%
• Spin-Orbit Coupling 100%
• Electronic State 50%
• Photoionization 50%
• Hartree-Fock Calculation 50%
• Core Level 50%
• X-Ray Photoelectron Spectrum 50%
• Cope Reaction 50%
• Coordination Compound 50%
• Wave Function 50%