Instituto Carlos I de Física Teórica y Computacional, and Departamento de Física Atómica, Molecular y Nuclear, Universidad de Granada, 18071 Granada, Spain.
J Chem Phys. 2011 Aug 14;135(6):064310. doi: 10.1063/1.3624774.
We examine the impact of the combination of a static electric field and a non-resonant linearly polarized laser field on an asymmetric top molecule. Within the rigid rotor approximation, we analyze the symmetries of the Hamiltonian for all possible field configurations. For each irreducible representation, the Schrödinger equation is solved by a basis set expansion in terms of a linear combination of symmetric top eigenfunctions respecting the corresponding symmetries, which allows us to distinguish avoided crossings from genuine ones. Using the fluorobenzene and pyridazine molecules as prototypes, the rotational spectra and properties are analyzed for experimentally accessible static field strengths and laser intensities. Results for energy shifts, orientation, alignment, and hybridization of the angular motion are presented as the field parameters are varied. We demonstrate that a proper selection of the fields gives rise to a constrained rotational motion in three Euler angles, the wave function being oriented along the electrostatic field direction, and aligned in other two angles.
我们研究了静电场和非共振线偏振激光场的组合对不对称陀螺分子的影响。在刚性转子近似下，我们分析了所有可能的场配置下哈密顿量的对称性。对于每个不可约表示，我们通过对称陀螺本征函数的线性组合的基集展开来求解薛定谔方程，这允许我们区分避免交叉和真正的交叉。使用氟苯和哒嗪分子作为原型，我们分析了实验可及的静电场强度和激光强度下的旋转光谱和性质。给出了能量位移、取向、对准和角运动杂交随场参数变化的结果。我们证明了适当选择场可以导致三个欧拉角的约束旋转运动，波函数沿静电场方向取向，并在另外两个角中对准。
