固定节面量子Monte Carlo(简称FNQMC)方法是目前求解Schrodinger方程精度最高的方法之一,对于2～10电子分子能获得80%～100%的相关能,但该方法还存在一些缺点,其中的两点是:(1)试探函数所含参数太多,优化起来非常困难;(2)试探函数的奇点条件没有得到满足.本文在FNQMC的基础上提出定域分子轨道量子Monte Carlo(简称LQMC)方法,它包 The fixed-section quantum Monte Carlo (FNQMC) method is one of the most accurate methods for solving the Schrodinger equation at present, and can obtain 80% -100% of the correlation energies for 2-10 electrons, but there are still some shortcomings in this method Two points are: (1) There are too many parameters in the trial function, so it is very difficult to optimize it. (2) The singularity conditions of the trial function are not satisfied.In this paper, based on the FNQMC, we propose the localized quantum orbital quantum Monte Carlo ) Method, it package