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首页> 外文期刊>Journal of Molecular Spectroscopy >Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors
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Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors

机译:非刚性非对称转子有效偶极矩的四阶旋转校正

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摘要

An expression for the fourth-order rotational correction terms of the effective dipole moments of nonrigid asymmetric rotors has been derived using the method of contact transformation. The treatment takes into account the large-amplitude bending motion. The correction terms have been calculated for the different bending states of the H2O molecule. A poor convergence of the rotational series for this molecule has been obtained and some different nonpolynomial forms for these series, obtained by different summation methods, have been proposed and tested, (C) 2001 Academic Press. [References: 13]
机译:使用接触变换的方法,得出了非刚性非对称转子有效偶极矩的四阶旋转校正项的表达式。该处理考虑了大幅度弯曲运动。已针对H2O分子的不同弯曲状态计算了校正项。已经获得了该分子旋转序列的较弱收敛性,并且已经提出并测试了通过不同的求和方法获得的这些序列的一些不同的非多项式形式,(C)2001 Academic Press。 [参考:13]

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