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Distinguishing between aligned and randomly oriented polar molecules by using a combination of strong laser field with a weak static field

机译:通过结合使用强激光场和弱静电场来区分取向和随机取向的极性分子

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The harmonic generation spectra (HGS) of two different ensembles of the same heteronuclear (polar) diatomic molecule are studied. In one ensemble the molecules are aligned (i.e. CO ↔ OC) whereas in the second ensemble the molecules are randomly distributed in different directions (and therefore not all molecules have the same orientation, e.g. CO or OC along one of the axes in the laboratory frame). Using the non-Hermitian formalism of quantum mechanics we prove that the HGS of the two ensembles consist of odd-order harmonics only, provided the photo-induced dynamics is controlled by a single resonance (metastable) state. As we show here by using the Friedrich and Herschbach approach [J. Phys. Chem. A 103, 10280 (1999); J. Chem. Phys. 111, 6157 (1999)], it is possible to distinguish between the ensemble of ‘perfectly’ aligned molecules and an ensemble of molecules with a random directional distribution, provided the dc-field is turned on adiabatically slow and all aligned molecules are in the same quantum state. As an illustrative numerical example the HGS of aligned and ensemble of random directional distributed CO molecules with and without dc field were computed by carrying out ab initio electronic structure calculations.View full textDownload full textKeywordsmolecular alignment, molecular orientation, harmonic generationRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/00268976.2012.674565
机译:研究了同一异核(极性)双原子分子的两个不同集合的谐波产生谱(HGS)。在一个集合中,分子是对齐的(即CO→OC),而在第二个集合中,分子是随机地沿不同方向分布的(因此,并非所有分子都具有相同的方向,例如,CO或OC沿着分子中的一个轴)实验室框架)。使用量子力学的非Hermitian形式论,我们证明了两个合奏的HGS仅由奇数阶谐波组成,只要光诱导的动力学受单个共振(可稳态)状态控制。正如我们通过使用Friedrich和Herschbach方法所展示的[J.物理化学A 103,10280(1999); J.化学物理111,6157(1999)],有可能区分“完全”排列的分子的集合和具有随机方向分布的分子的集合,前提是直流场以绝热慢的速度打开并且所有排列的分子处于相同的量子状态作为说明性的数值示例,通过进行从头算电子结构计算来计算具有和不具有dc场的随机定向分布的CO分子的排列和整体的HGS。查看全文下载全文关键词分子排列,分子取向,谐波产生相关var addthis_config = {ui_cobrand :“ Taylor&Francis Online”,services_compact:“ citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more”,pubid:“ ra-4dff56cd6bb1830b”};添加到候选列表链接永久链接http://dx.doi.org/10.1080/00268976.2012.674565

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