The absorption spectra of the cold Na2 molecule dressed by a linearly polarized standing laser wave is investigated. In the studied scenario the rotational motion of the molecules is frozen while the vibrational and translational degrees of freedom are accounted for as dynamical variables. In such a situation a light-induced conical intersection (LICI) can be formed. To measure the spectra a weak field is used whose propagation direction is perpendicular to the direction of the dressing field but has identical polarization direction. Although LICIs are present in our model, the simulations demonstrate a very robust absorption spectrum, which is insensitive to the intensity and the wavelength of the dressing field and which does not reflect clear signatures of light-induced nonadiabatic phenomena related to the strong mixing between the electronic, vibration and translational motions. However, by widening artificially the very narrow translational energy level gaps, the fingerprint of the LICI appears to some extent in the spectrum.
Ro-vibrational studies of diatomic molecules in a shifted Deng-Fan oscillator potential
本文用广义赝谱方法研究了位移Deng-Fan振子势的束缚态谱。通过对径向薛定谔方程的非均匀最优离散，得到了\emph{both low as well as high}态的非常精确的结果.在\emph{both $s$-wave and rotational}状态下观察到与文献数据的良好一致性。详细的变化的能量相对于潜在的参数进行了讨论。应用于四个代表性的双原子分子（H $_2$，LiH，HCl，CO）的振转能级。具有$\{n,\ell\} =0,1,2$的九个状态与这些分子中的每一个的15个其他更高的状态一起以良好的精度计算。能量随态指数$n$、$\ell$的变化表明，\emph{behavior}与Morse势相似.许多新的国家是第一次在这里报道。总之，这是一个简单，准确和有效的方法，在分子物理中的这种和其他类似的潜力。
Franck-Condon Simulation of Vibrationally-Resolved X-ray Spectra for Diatomic Systems: Validation of Harmonic Approximation and Density Functional Theory
Algebraic Determination of Spectral Characteristics of Rovibrational States of Diatomic Molecules. I. Diagram Technique for Determination of Vibrational Dependences of Matrix Elements
Algebraic Determination of Spectral Characteristics of Rovibrational States of Diatomic Molecules. II. Analysis of the Vibration-Rotation Interaction by Means of the Factorization Method
Systematic calculation of molecular vibrational spectra through a complete Morse expansion
我们提出了一种精确和有效的方法来计算分子的振动光谱，基于精确对角化的代数计算矩阵的基础上的权力的莫尔斯坐标。本文主要研究了双原子分子的一维势：作为典型的例子，我们将这种方法应用于标准Lennard-Jones振子和H2分子的从头算势。通过30 x 30矩阵的对角化获得的H2光谱展示了整体cm-1精度。这个理论是在一个新的方法，以获得全球准确的振动光谱数据的背景下的多维潜在的多原子分子，在一个负担得起的计算成本的根源。
