The use of plane wave approximation in molecular orbital tomography via high-order harmonic generation has been questioned since it was proposed, owing to the fact that it ignores the essential property of the continuum wave function. To address this problem, we develop a theory to retrieve the valence molecular orbital directly utilizing molecular continuum wave function which takes into account the influence of the parent ion field on the continuum electrons. By transforming this wave function into momentum space, we show that the mapping from the relevant molecular orbital to the high-order harmonic spectra is still invertible. As an example, the highest orbital of $\mathrm{N_2}$ is successfully reconstructed and it shows good agreement with the \emph{ab initio} orbital. Our work clarifies the long-standing controversy and strengthens the theoretical basis of molecular orbital tomography.
V.I. Usachenko和S.- I. Chu [Phys. Rev. A { \bf 71}，063410（2005）]讨论了速度规范公式中的分子强场近似，并指出我们早期的一些速度规范计算是不准确的。在这里，我们评论的结果Usachenko和朱。首先，我们证明了Usachenko和Chu使用的分子轨道不具有正确的对称性，其次，用两个原子轨道的单一线性组合来描述分子轨道是一种过度简化。最后，给出了广义Bessel函数的一些数值，以供比较.
Laser-Induced Electron Diffraction: Inversion of Photoelectron Spectra for Molecular Orbital Imaging
本文讨论了利用激光诱导电子衍射（LIED）获得的线性分子的光电子能谱对分子轨道成像的可能性。这是我们最近在Physical Review A \textbf{94}，023421（2016）上发表的工作的扩展，适用于二氧化碳分子的HOMO-1轨道。我们表明，这样的成像技术具有潜在的图像分子轨道在不同的核间距离在亚飞秒的时间尺度和分辨率的几分之一埃。
