Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models

Details Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models

2003-11-20

arxiv.org/abs/cond-mat/0311470v1

Physics

Condensed Matter

Strongly Correlated Electrons

25 pages and 8 figures, submitted to Phys. Rev. B

Scientific paper

10.1103/PhysRevB.69.085101

The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A new approximation to the interaction-energy functional $W[\gamma]$ is proposed which is based on its scaling properties and which recovers exactly the limit of strong electron correlations at half-band filling. In this way, a more accurate description of $W$ is obtained throughout the domain of representability of $\gamma_{ij}$, including the crossover from weak to strong correlations. As examples of applications results are given for the ground-state energy, charge-excitation gap, and charge susceptibility of the Hubbard model in one-, two-, and three-dimensional lattices. The performance of the method is demonstrated by comparison with available exact solutions, with numerical calculations, and with LDFT using a simpler dimer ansatz for $W$. Goals and limitations of the different approximations are discussed.

Affiliated with

Also associated with

No associations

Rating

Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Interaction energy functional for lattice density functional theory: Applications to one-, two- and three-dimensional Hubbard models will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-405972