6533b82dfe1ef96bd12912ef
RESEARCH PRODUCT
Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and quantum defect study.
E. MayorA. Sánchez De MerásJosé Sánchez-marínInmaculada MartinJ. Pitarch-ruizAna Velascosubject
symbols.namesakeFormalism (philosophy of mathematics)Quantum defectChemistryExcited stateRydberg formulasymbolsMoleculePhysical and Theoretical ChemistryReference functionAtomic physicsExcitationdescription
Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2007-04-10 | The journal of physical chemistry. A |