Bond-dependent slave-particle cluster theory based on density matrix expansion

Article

关键词: ELECTRONIC-STRUCTURE;    TRANSITION;    SUPERCONDUCTIVITY;    APPROXIMATION;    SYSTEMS;    MODEL;   

DOI  :  10.1103/PhysRevB.107.115153

来源: SCIE

【 摘 要 】

Efficient and accurate computational methods for dealing with interacting electron problems on a lattice are of broad interest to the condensed matter community. For interacting Hubbard models, we introduce a cluster slave-particle approach that provides significant computational savings with high accuracy for total energies, site occupancies, and interaction energies. Compared to exact benchmarks using density matrix renormalization group for d -p Hubbard models, our approach delivers accurate results using two to three orders of magnitude lower computational cost. Our method is based on a slave-particle decomposition with an improved description of particle hoppings, and a density matrix expansion method where the interacting lattice slave-particle problem is turned into a set of overlapping real-space clusters which are solved self-consistently with appropriate physical matching constraints at shared lattice sites between clusters.

【 授权许可】

Free