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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Zhu, Zunlue Niu, Xianghong Shu, Huabing Chen, Qian |
| Description | Country affiliation: China Author Affiliation: Niu X ( Department of Physics, Southeast University, Nanjing 211189, China.); Shu H ( Department of Physics, Southeast University, Nanjing 211189, China.); Zhu Z ( College of Physics and Electronic Engineering, Henan Normal University, Xinxiang 453007, China.); Chen Q ( Department of Physics, Southeast University, Nanjing 211189, China. Electronic address: cqseu@sina.com.) |
| Abstract | The potential energy curves (PECs) of two lowest dissociation channels of BBr(+) have been thoroughly investigated using the internally contracted multireference configuration interaction method with Davidson correction and relativistic correction. All PECs are extrapolated to complete basis set limit. Several quasibound excited states caused by avoided crossings are found. Based on the PECs, the spectroscopic parameters of bound and quasibound states are obtained. The transition dipole moments and radiative lifetimes are predicted for all possible transitions. Finally, the spin-orbit coupling matrix elements are computed using the states interaction approach with the full Breit-Pauli Hamiltonian to analyze the interactions in PECs crossing regions. We propose that the 2(2)Σ(+)-X(2)Σ(+) and 2(2)Π-X(2)Σ(+) transitions which cannot be observed in experiments are attributed to the intricate couplings among 1(2)Π, 2(2)Π, 2(2)Σ(+), 1(4)Σ(+), 1(4)Δ, 1(4)Σ(-), 1(2)Δ and 1(2)Σ(-) states. |
| ISSN | 13861425 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Volume Number | 159 |
| e-ISSN | 18733557 |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2016-04-15 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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