Density-matrix functional theory of the attractive Hubbard model: Statistical analogy of pairing correlations

TL;DR

This paper introduces a novel statistical analogy between the interaction-energy functional and entropy in the attractive Hubbard model, leading to a simple approximation for ground-state properties validated against exact solutions.

Contribution

It proposes a new linear relation-based ansatz for the interaction-energy functional in the attractive Hubbard model within density-functional theory.

Findings

The relation between $W[\boldsymbol{\eta}]$ and $S[\boldsymbol{\eta}]$ is approximately linear.

The proposed ansatz accurately predicts ground-state properties across various lattices.

Validation against exact diagonalizations confirms the method's effectiveness.

Abstract

The ground-state properties of the Hubbard model with attractive local pairing interactions are investigated in the framework of lattice density-functional theory. A remarkable correlation is revealed between the interaction-energy functional $W[\boldsymbol{\eta}]$ corresponding to the Bloch-state occupation-number distribution $\eta_{\boldsymbol{k}\sigma}$ and the entropy $S[\boldsymbol{\eta}]$ of a system of non-interacting fermions having the same $\eta_{\boldsymbol{k}\sigma}$. The relation between $W[\boldsymbol{\eta}]$ and $S[\boldsymbol{\eta}]$ is shown to be approximately linear for a wide range of ground-state representable occupation-number distributions $\eta_{\boldsymbol{k}\sigma}$. Taking advantage of this statistical analogy, a simple explicit ansatz for $W[\boldsymbol{\eta}]$ of the attractive Hubbard model is proposed, which can be applied to arbitrary periodic systems. The accuracy of this approximation is demonstrated by calculating the main ground state properties of the model on several 1D and 2D bipartite and non-bipartite lattices and by comparing the results with exact diagonalizations.