Analysis of exchange energy at long range for heteronuclear diatomics

Analysis of exchange energy at long range for heteronuclear diatomics
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异核双原子远距离交换能量分析

DOI:
10.1140/epjd/e2015-50748-9
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发表时间:
2015-04
影响因子:
1.8
通讯作者:
Xiaowei Sheng
Xiaowei Sheng
中科院分区:
物理与天体物理4区
文献类型:
--
作者:
Xiaowei Sheng

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AbstractThe present paper shows that the exchange energies of heteronuclear diatomics can be well fitted with simple analytical expressions. For heteronuclear diatomics with two atoms having large difference of ionization energies, the exchange energies can be closely fitted with −CRbe− 4R/(b+ 2). In cases where the constituent atoms have similar ionization energies, −CRbe− 7R/(b+ 1)fits the exchange energies very well. In addition, the parameterb, in general, can be well estimated with the atomic ionization energy.Graphical abstract
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