Publication | Closed Access
Valence and Rydberg states of CH<sub>3</sub>Cl: a MR-CISD study
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Citations
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References
2014
Year
Excited State PropertyTriplet StatesEngineeringPhysicsMr-cisd StudyNatural SciencesNuclear Quadrupole ResonanceChemical BondApplied PhysicsDavidson Extensivity CorrectionTheoretical Inorganic ChemistryAtomic PhysicsComputational ChemistryQuantum ChemistryChemistryWork Ten SingletSpectra-structure Correlation
In this work ten singlet and nine triplet states are studied through multi-reference configuration interactions with singles and doubles (MR-CISD), including Davidson extensivity correction (MR-CISD+Q).
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