The semiempirical dipole moment functions of the molecules HX (X = F, Cl, Br, I, O), CO and NO

被引:36
作者
Buldakov, MA [1 ]
Cherepanov, VN
机构
[1] Russian Acad Sci, Inst Monitoring Climat & Ecol Syst, SB, Tomsk 634055, Russia
[2] Tomsk State Univ, Tomsk 634050, Russia
关键词
D O I
10.1088/0953-4075/37/19/015
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A semiempirical method is suggested to construct the dipole moment function for a diatomic molecule in the form of a piecewise-continuous function that exhibits physically correct behaviour at small and large internuclear separations and agrees with the dipole moment function near the equilibrium position of molecule nuclei. The dipole moment functions are calculated for the ground electron states of the molecules HF, HCl, HBr, HI, OH, NO and CO for all ranges of internuclear separations.
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页码:3973 / 3986
页数:14
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