HIGH-ORDER HARMONIC GENERATION IN DIATOMIC MOLECULES: QUANTUM INTERFERENCE, NODAL STRUCTURES AND MULTIPLE ORBITALS
HIGH-ORDER HARMONIC GENERATION IN DIATOMIC MOLECULES: QUANTUM INTERFERENCE, NODAL STRUCTURES AND MULTIPLE ORBITALS
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DOI：
10.1142/s021798491130002x
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发表时间：
2012-04
影响因子：
1.9
通讯作者：
B. Augstein;C. F. D. M. Faria
中科院分区：
文献类型：
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作者：
B. Augstein;C. F. D. M. Faria
本文综述了双原子分子中超越单活性电子和单活性轨道近似的高次谐波产生的一系列研究。在这些研究中，我们不仅在修正版本的强场近似中包括了最高已占据分子轨道（HOMO），还包括了低层轨道和最低未占据分子轨道（LUMO）。我们采用了围绕HOMO、多电子波函数和HOMO和LUMO的初始相干叠加的微扰理论。详细研究了多轨道、节点结构和双中心干涉对同核和异核分子HHG光谱的影响。我们发现，在许多情况下，不同的分子轨道可以追溯到光谱中不同的能量区域。此外，通过分析等电子同核分子中的节点平面，可以了解异核分子中节点结构的印迹。这为分子成像的应用开辟了广泛的可能性。
We present a summarizing account of a series of investigations of high-order harmonic generation (HHG) in diatomic molecules beyond the single-active electron and single-active orbital approximation. In these investigations, we include not only the highest occupied molecular orbital (HOMO), but also the lower lying orbitals and the lowest unoccupied molecular orbital (LUMO) in modified versions of the strong-field approximation. We employ perturbation theory around the HOMO, multielectron wavefunctions and initial coherent superpositions of the HOMO and LUMO. The imprints of multiple orbitals, nodal structures and two-center interference on the HHG spectra are investigated in detail, for homonuclear and heteronuclear molecules. We find that, in many situations, different molecular orbitals can be traced back to different energy regions in the spectra. Furthermore, imprints of nodal structures in heteronuclear molecules can be understood by analyzing nodal planes in isoelectronic homonuclear molecules. This opens up a wide range of possibilities for molecular imaging applications.