ClF diatomic molecule: Rovibrational spectra

被引:3
|
作者
Olivares-Pilon, Horacio [1 ]
Turbiner, Alexander, V [2 ]
机构
[1] Univ Autonoma Metropolitana Iztapalapa, Dept Fis, Apartado Postal 55-534, Mexico City 09340, Mexico
[2] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Apartado Postal 70-543, Mexico City 04510, Mexico
关键词
Diatomic molecule; Potential curve; Ground state; Rovibrational states; POTENTIAL-ENERGY CURVES; LASER; H-2(+);
D O I
10.1016/j.cplett.2022.139642
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Following the first principles the analytic Born-Oppenheimer (BO) potential curve for the ground state X1 sigma+ of the molecule ClF is proposed for whole range of internuclear distances R is an element of [0, infinity). It is based on matching the perturbation theory at small internuclear distances R and multipole expansion at large distances R, it has the form of two-point Pade approximant and provides 3-4 figures in rovibrational energies. It supports 5719 rovibrational states with maximal vibrational number nu(max)= 47 and maximal angular momentum L-max = 210 including 36 weakly-bound states close to threshold (to dissociation limit) with the energies <= 10(-4) hartree. The van der Waals constant C-6((ClF)) similar to 29.3 a.u. is predicted.
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页数:4
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