Total energies of atoms from integral-equation radial solver

We present a numerical tool for solving the non-relativistic Kohn-Sham problem for spherically-symmetric atoms. It treats the Schrödinger equation as an integral equation...我们提出一款数值工具，用于求解球对称原子的非相对论性科恩-沈（Kohn-Sham）问题。该工具将薛定谔方程（Schrödinger equation）视作积分方程进行处理……