2019•Chemical Physics LettersRequires access

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

Likun Yang, Adam Grofe, Jeffrey R. Reimers, Jiali Gao

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Key concepts: Density functional theory, Open shell, Atomic orbital, Electron, Unpaired electron, Atomic physics, Excitation, Spin states

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