Electronic transition dipole moment and radiative lifetime calculations of lithium dimer ion-pair states
| Autor: | Ergin Ahmed, S. Magnier, A. Marjatta Lyyra, Aydin Sanli, Xinhua Pan, David Beecher |
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| Rok vydání: | 2019 |
| Předmět: |
Physics
010304 chemical physics Dimer Ab initio chemistry.chemical_element 010402 general chemistry 01 natural sciences Atomic and Molecular Physics and Optics Molecular electronic transition 0104 chemical sciences chemistry.chemical_compound Dipole chemistry Ab initio quantum chemistry methods 0103 physical sciences Moment (physics) Radiative transfer Lithium Physics::Atomic Physics Physical and Theoretical Chemistry Atomic physics Spectroscopy |
| Zdroj: | Journal of Molecular Spectroscopy. 355:1-7 |
| ISSN: | 0022-2852 |
| Popis: | We present here a computational study of the lifetimes of the ion-pair n 1 Σ g + , n = 3–6, states of lithium dimer. The lifetimes are calculated using ab initio electronic transition dipole moment functions and combination of experimental and ab initio potential curves. The ab initio calculations are carried out using the full configuration-interaction method. The lifetime calculations include the radiative contributions of all the allowed bound–bound and bound-free transitions to lower electronic states. In addition, to test the computational methods used in this work, we have calculated the lifetimes of levels of the lowest excited singlet, A 1 Σ u + , state of lithium dimer. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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