物理
原子物理学
势能
激发态
激发电子态
里德伯公式
键离解能
振动能
谱线
双原子分子
离解(化学)
量子力学
分子
离子
电离
物理化学
化学
作者
Qunchao Fan,Zhixiang Fan,Weiguo Sun,Yi Zhang,Jia Fu
标识
DOI:10.1139/cjp-2015-0579
摘要
The improved variational algebraic energy consistent method (VAECM) is suggested to study the vibrational spectra and analytical potential energy functions of six excited electronic states [Formula: see text], 2 1 Δ g , (5d) 1 Δ g , (6d) 1 Δ g , (7d) 1 Δ g , and (8d) 1 Δ g of Na 2 . The full vibrational energies, the vibrational spectroscopic constants, the force constants f n , and the expansion coefficients a n of the potential are tabulated. The VAECM analytical potential energy function with adjustable parameter λ for each electronic state is determined. The full vibrational energies of each of these electronic states correctly converge to its dissociation energy and have no artificial barrier in all the calculation ranges. The VAECM analytical potentials excellently agree with the Rydberg–Klein–Rees potentials.
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