Sum-rule Conserving Spectral Functions from the Numerical Renormalization Group

Abstract

We show how spectral functions for quantum impurity models can be calculated very accurately using a complete set of ``discarded'' numerical renormalization group eigenstates, recently introduced by Anders and Schiller. The only approximation is to judiciously exploit energy scale separation. Our derivation avoids both the overcounting ambiguities and the single-shell approximation for the equilibrium density matrix prevalent in current methods, ensuring that relevant sum rules hold rigorously and spectral features at energies below the temperature can be described accurately.