Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

doi:10.1088/1009-1963/16/6/026

中国物理B ›› 2007, Vol. 16 ›› Issue (6): 1641-1649.doi: 10.1088/1009-1963/16/6/026

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

范开敏, 任维义, 刘艳, 王阿暑, 刘松红

Institute of Theoretical Physics, China West Normal University, Nanchong 637002, China

收稿日期:2006-07-06 修回日期:2006-12-18 出版日期:2007-06-20 发布日期:2007-06-20
基金资助:
Project supported by the Science Foundation of China West Normal University (Grant No 05B016) and the Science Foundation of Sichuan province Educational Bureau of China (Grant No 2006A080).

Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

Fan Kai-Min(范开敏), Ren Wei-Yi(任维义)^†, Liu-Yan(刘艳), Wang A-Shu(王阿暑), and Liu Song-Hong(刘松红)

Institute of Theoretical Physics, China West Normal University, Nanchong 637002, China

Received:2006-07-06 Revised:2006-12-18 Online:2007-06-20 Published:2007-06-20
Supported by:
Project supported by the Science Foundation of China West Normal University (Grant No 05B016) and the Science Foundation of Sichuan province Educational Bureau of China (Grant No 2006A080).

摘要/Abstract

摘要： The algebraic energy method (AEM) is applied to the study of molecular dissociation energy $D_e$ for 11 heteronuclear diatomic electronic states: $a^3\Sigma^+$ state of NaK, $X^2\Sigma^+$ state of XeBr, $X^2\Sigma^+$ state of HgI, $X^1\Sigma^+$ state of LiH, $A^3\Pi(1)$ state of ICl, $X^1\Sigma^+$ state of CsH, $A(^3\Pi_1)$ and $B0^+(^3\Pi)$ states of ClF, $2^1\Pi$ state of KRb, $X^1\Sigma^+$ state of CO, and $c^3\Sigma^+$ state of NaK molecule. The results show that the values of $D_e$ computed by using the AEM are satisfactorily accurate compared with experimental ones. The AEM can serve as an economic and useful tool to generate a reliable $D_e$ within an allowed experimental error for the electronic states whose molecular dissociation energies are unavailable from the existing literature.

Abstract: The algebraic energy method (AEM) is applied to the study of molecular dissociation energy $D_e$ for 11 heteronuclear diatomic electronic states: $a^3\Sigma^+$ state of NaK, $X^2\Sigma^+$ state of XeBr, $X^2\Sigma^+$ state of HgI, $X^1\Sigma^+$ state of LiH, $A^3\Pi(1)$ state of ICl, $X^1\Sigma^+$ state of CsH, $A(^3\Pi_1)$ and $B0^+(^3\Pi)$ states of ClF, $2^1\Pi$ state of KRb, $X^1\Sigma^+$ state of CO, and $c^3\Sigma^+$ state of NaK molecule. The results show that the values of $D_e$ computed by using the AEM are satisfactorily accurate compared with experimental ones. The AEM can serve as an economic and useful tool to generate a reliable $D_e$ within an allowed experimental error for the electronic states whose molecular dissociation energies are unavailable from the existing literature.

Key words: algebraic energy method, dissociation energy, vibrational energy, electronic excited states

中图分类号: (Bond strengths, dissociation energies)

33.15.Fm

31.15.-p (Calculations and mathematical techniques in atomic and molecular physics)

范开敏, 任维义, 刘艳, 王阿暑, 刘松红. Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method[J]. 中国物理B, 2007, 16(6): 1641-1649.

Fan Kai-Min(范开敏), Ren Wei-Yi(任维义), Liu-Yan(刘艳), Wang A-Shu(王阿暑), and Liu Song-Hong(刘松红). Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method[J]. Chinese Physics, 2007, 16(6): 1641-1649.

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Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

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