【摘要】 对于金属表面上的二次谐波产生,现有理论(流体动力学和密度泛函理论)的计算结果与实验数据相差一个数量级。本文利用相关基函数理论计算了Al,Mg和Ag表面上的二次谐波,由于该方法较好地考虑了电子关联,因而明显地改进了理论结果。更多还原

【Abstract】 For the second harmonic generation at metal suriaces, the existing theoretial results obtained from hydrodynamics and the density functional theory are one order of magnitude deviated from the experimental data. We calculate the second harmonic generation at Al, Mg and Ag surfaces by using the correlated basis function theory. Since the electron correlation can be considered more property in this approach, our theoretical results are closer to the experimental data.更多还原