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Nian Lu
Yangtze University
CouplingDipoleAtomic physicsChemistryAb initioPotential energy
2Publications
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Publications 3
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High-level ab initio computations have been performed on the experimentally unknown species SCl(+). The low-lying Lambda-S electronic states correlated to the first and the second dissociation channels as well as their corresponding Omega states have been investigated by the icMRCI+Q methodology employing basis sets up to quintuple-zeta quality. Information about potential energy curves, electron configurations, spectroscopic constants, dipole moments and transition properties are derived and di...
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#1Song Li (Yangtze University)H-Index: 3
#2Nian Lu (Yangtze University)
Last. Shan-Jun Chen (Yangtze University)H-Index: 3
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Abstract High-level ab initio computations have been performed on SnH+. The potential energy curves and spectroscopic constants of the low-lying Λ-S electronic states, as well as their associated Ω states, are derived at the icMRCI + Q level employing basis sets of quintuple-ζ quality. The transition dipole moments, Einstein coefficients, radiative lifetimes and Franck-Condon factors of three spin-forbidden transition bands ( 1 3 Π 1 − X 1 Σ 0 + + , 1 3 Π 0 + − X 1 Σ 0 + + and 1 1 Π 1 − X 1 Σ 0 ...
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#1Ning Wang (Yangtze University)H-Index: 1
#2Nian Lu (Yangtze University)
Last. Song Li (Yangtze University)H-Index: 3
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Abstract The twelve Λ-S electronic states of the first four dissociation limits of the MgSb molecule have been examined at the icMRCI+Q level employing basis sets of quintuple-ζ quality. The potential energy curves, vibrational levels and spectroscopic constants of the species have been investigated. The permanent dipole moments of the interested states are derived, and the transition dipole moments, Einstein emission coefficients, radiation lifetimes and Franck-Condon factors between selected s...
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