Multistate density functional theory applied with 3 unpaired electrons in 3 orbitals: The singdoublet and tripdoublet states of the ethylene cation

Physics & Astronomy

• ethylene 100%
• cations 86%
• density functional theory 79%
• orbitals 72%
• electrons 43%
• contamination 30%
• energy 20%
• excitation 16%

Chemical Compounds

• Orbital 85%
• Density Functional Theory 63%
• Cation 59%
• Electron Spin 57%
• Electron Particle 55%
• Energy 32%