摘要
文章介绍了在从头计算方法中加入赝势来求解多电子体系问题的方法。实践证明,用这种方法可以简化计 算,其精度与精确算法相比,误差小于10-3。
The article elaborates the method of adding pseudo - potential to ab initio calculation to solve problems in multi - electron system. This method can be used to simplify calculations.