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一些双原子电子态的全振动光谱和分子离解能研究。

Studies on the full vibrational spectra and molecular dissociation energies for some diatomic electronic states.

作者信息

Fan Qunchao, Sun Weiguo

机构信息

Institute of Physics, Sichuan University, Chengdu, Sichuan 610065, People's Republic of China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2009 Mar;72(2):298-305. doi: 10.1016/j.saa.2008.09.025. Epub 2008 Oct 17.

DOI:10.1016/j.saa.2008.09.025
PMID:19022701
Abstract

A parameter-free formula is suggested to evaluate the molecular dissociation energy of a stable diatomic electronic system. The full vibrational spectra (E(upsilon)(AM)) and theoretical dissociation energies D(e)(AM) are studied using the algebraic method (AM) and the suggested analytical formula for some electronic states of Li(2), K(2), Na(2), and Sr(2) molecules which have regular (Morse-like) potentials. Both the (E(upsilon)(AM)) and the calculated D(e)(AM) agree excellently with known experimental values for each electronic state.

摘要

提出了一种无参数公式来评估稳定双原子电子系统的分子离解能。使用代数方法（AM）和所提出的解析公式，研究了具有规则（类莫尔斯）势的Li(2)、K(2)、Na(2)和Sr(2)分子某些电子态的全振动光谱（E(υ)(AM)）和理论离解能D(e)(AM)。对于每个电子态，E(υ)(AM)和计算得到的D(e)(AM)都与已知实验值非常吻合。

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