EFFECT OF THE POTENTIAL WITHIN SINGLE-ACTIVE ELECTRON APPROXIMATION ON HIGH-ORDER HARMONIC GENERATION FROM CO MOLECULE

Abstract

Constructing the model of single-active electron (SAE) potential for multielectron molecules is essential to investigate the high-order harmonic generation (HHG). Since solving the nonlinear equation to obtain the SAE potential costs computational resource, this potential is constructed after one or two iterations. In this study, we investigate the influence of using the initial SAE potential (the initial wave function is calculated from Gaussian source code), the SAE potential with one iteration (the wave function is obtained after one iteration) on the feature of HHG spectra from CO molecule. We examine the even and odd harmonics, and the even-to-odd ratio of HHG. The results show that, in comparison with the case of using one-iterative SAE, the initial SAE potential causes the missing information at some harmonic orders. However, the choices of SAE potential do not affect the behavior of the even-to-odd ratio in the dependence on the molecular orientation angles. This is an important result allowing us to use the initial SAE in analyzing physical effects.