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Ab initio calculation on spectroscopic properties and radiative lifetimes of low-lying excited states of NaK
钟志萍
作者单位E-mail
钟志萍 中国科学院研究生院物理系 zpzhong@ucas.ac.cn 
摘要:
We conducted high-precision ab initio calculations on electronic structure of NaK and accurately reproduced the route adopted in experimental demonstrated of fermionic cold NaK molecule. The potential curves and spectroscopic constants of low-lying states of the NaK molecule have been presented, using the ab initio method in the framework of pseudopotential model basing on the core-polarization modification with the single cutoff parameter model. On the basis of the calculated transition dipole moments, vibrational levels and Franck Condon factors, lifetimes of bound states have been calculated, which agree well with existing experimental work. The maximum bound states of the molecular ground states have been analyzed with the semiclassical scattering theory. The research results indicate that such calculations can provide fairly reliable estimation of parameters for the ultracold alkali diatomic molecular experiment.
关键词:  Ultracold dipolar molecule, Transition dipole moment, Spectroscopic constants, Potential curves
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Ab initio calculation on spectroscopic properties and radiative lifetimes of low-lying excited states of NaK
钟志萍
Abstract:
We conducted high-precision ab initio calculations on electronic structure of NaK and accurately reproduced the route adopted in experimental demonstrated of fermionic cold NaK molecule. The potential curves and spectroscopic constants of low-lying states of the NaK molecule have been presented, using the ab initio method in the framework of pseudopotential model basing on the core-polarization modification with the single cutoff parameter model. On the basis of the calculated transition dipole moments, vibrational levels and Franck Condon factors, lifetimes of bound states have been calculated, which agree well with existing experimental work. The maximum bound states of the molecular ground states have been analyzed with the semiclassical scattering theory. The research results indicate that such calculations can provide fairly reliable estimation of parameters for the ultracold alkali diatomic molecular experiment.
Key words:  Ultracold dipolar molecule, Transition dipole moment, Spectroscopic constants, Potential curves