Ground state wave functions for single-band Hubbard models from the Gutzwiller conjugate gradient minimisation theory

Abstract

The Gutzwiller conjugate gradient minimisation (GCGM) theory is an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. Previous applications of GCGM provides satisfying accuracy of ground-state energy of Hubbard models. In the current work, we address the problem of whether the obtained wave function is a good approximation for the true ground state by comparing the correlation functions with the benchmark data. Our results confirms the accuracy of the reproduced ground state of the regular Hubbard model, but with some exception for the frustrated Hubbard model.

GRAPHICAL ABSTRACT

KEYWORDS:

• Correlated electron systems
• Gutzwiller wave function
• Hubbard model

Acknowledgments

This work was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, Materials Science and Engineering Division, including the computer time support from the National Energy Research Scientific Computing Center (NERSC) in Berkeley, CA. The research was performed at Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under Contract No. DEAC02-07CH11358.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

This work was supported by U.S. Department of Energy [grant number: DEAC02-07CH11358].