New general scheme for improving accuracy in implementing self-consistent iterative calculations: illustration in the STLS theory

By imposing the Pauli's exclusion principle and other known exact relations at each stage in the self-consistent iteration scheme due to Singwi, Tosi, Land, and Sjoelander (STLS), we propose an algorithm to obtain accurate results for the static structure factor and other related physical quantities in electron liquids. Its actual implementation is illustrated in the spin fully polarized homogeneous electron liquid. We suggest the usefulness of our idea in improving accuracy in other iteration schemes as well.