论文标题
计算旋转振动 - 电动转变强度的理论方法
Theoretical methods for calculating rotational-vibrational-electronic transition intensities in triatomic molecules
论文作者
论文摘要
本文涵盖了分子旋转和振动的量子理论的几个方面。三部分分子是最简单的系统，它显示出较大的多原子分子的定性特征。在三部分分子的最小示例中，我们证明了几种用于计算高度准确的旋转振动 - 电气能量，波形和过渡强度的理论方法。读者可以将本文视为教程，绝不是全面的，它仍然会遇到现代理论分子光谱中的一些未解决的问题。
This article covers few selected aspects of quantum theory of molecular rotations and vibrations. Triatomic molecules are the simplest systems, which show qualitative characteristics of larger polyatomic molecules. On the minimal example of triatomic molecules we demonstrate several theoretical methods used to calculate highly accurate rotational-vibrational-electronic energies, wavefunctions and transition intensities. The reader can view this article as a tutorial, by no means comprehensive, which still touches some of the unsolved problems in modern theoretical molecular spectroscopy.
