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Effective Dipole Moment of Rotational Transitions of X_2Y Molecules

机译:X_2Y分子旋转跃迁的有效偶极矩

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摘要

Contributions determining the rotational dependence of the effective dipole moment of molecules are calculated for the ground state of H_2S and H_2O molecules. The calculation is carried out in various ordering algorithms of perturbation theory. It is shown that the convergence of the effective dipole moment for the ground state of an H_2O molecule in the polynomial representation is rather slow in the rotational operatory J_z (the convergence radius is K_* ≤ 17). Nonpolynomial forms of the dipole moment as a function of rotational operators are discussed.
机译:对于H_2S和H_2O分子的基态,计算确定分子有效偶极矩的旋转依赖性的贡献。该计算在摄动理论的各种排序算法中进行。结果表明,多项式表示中H_2O分子基态的有效偶极矩的收敛在旋转算符J_z中相当慢(收敛半径为K_ *≤17)。讨论了偶极矩作为旋转算子函数的非多项式形式。

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