One-dimensional Continuum Electronic Structure with the Density Matrix Renormalization Group and Its Implications For Density Functional Theory

摘要

We extend the density matrix renormalization group to compute exact groundstates of continuum many-electron systems in one dimension with long-rangeinteractions. We find the exact ground state of a chain of 100 stronglycorrelated artificial hydrogen atoms. The method can be used to simulate 1dcold atom systems and to study density functional theory in an exact setting.To illustrate, we find an interacting, extended system which is an insulatorbut whose Kohn-Sham system is metallic.