钠分子B1piu态的辐射寿命。

Radiative lifetimes for the B1piu state of the Na2 molecule.

作者信息

Pardo A, Camacho J J, Poyato J M

机构信息

Departamento de Química-Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, Spain.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2000 Nov 1;56A(12):2417-21. doi: 10.1016/s1386-1425(00)00293-6.

DOI:10.1016/s1386-1425(00)00293-6

PMID:11075683

Abstract

A study of the radiative lifetimes calculation of the Na2 B1piu state is presented. RKR electronic potentials are considered. The studied vibrational levels are for v' = 0-33 (B1piu) and v" = 0-65 (chi1sigmag+). The rotation is considered for values of J' = 1-225 (B1piu). The Einstein emission coefficients are calculated for the specified B1piu rovibrational levels (for Q line and R, P lines, for all ground state vibrational levels). With the inverse of Einstein emission coefficients sum, the radiative lifetimes are calculated. These calculated lifetimes are in good agreement with the experimental and previously calculated (with RKR potentials) lifetimes, but now great extension of considered rovibrational levels is considered. The bound-free contribution is irrelevant for Na2 lifetimes of the B1piu state. The perturbation between Na2 B1piu and alpha1sigmau+ states is considered.

摘要

本文介绍了对Na₂ B¹πu态辐射寿命计算的一项研究。考虑了RKR电子势。所研究的振动能级为v' = 0 - 33（B¹πu）和v" = 0 - 65（χ¹Σg⁺）。对于J' = 1 - 225（B¹πu）的值考虑了转动。针对指定的B¹πu振转能级（对于Q线以及R、P线，对于所有基态振动能级）计算了爱因斯坦发射系数。利用爱因斯坦发射系数总和的倒数，计算了辐射寿命。这些计算出的寿命与实验值以及先前（使用RKR势）计算出的寿命吻合良好，但现在考虑了所涉及振转能级的大幅扩展。对于Na₂ B¹πu态的寿命，束缚 - 自由贡献不相关。考虑了Na₂ B¹πu态与α¹Σu⁺态之间的微扰。