Part 1 of X. The content of this series of posts is mainly drawn from "Atomic and Electronic Structure of Solids" by Efthimios Kaxiras, in particular Ch.2 on the single-particle approximation (SPA). What follows are my notes, interpretations, and thoughts surrounding the setup of the SPA, following the framework of Kaxiras' textbook. Outside of solids …

Continue reading Laying the Foundation for Modeling Materials – Part 1: Hamiltonian of the Solid