Finite temperature density matrix embedding theory
| Autor: | Sun, Chong, Ray, Ushnish, Cui, Zhi-Hao, Stoudenmire, Miles, Ferrero, Michel, Chan, Garnet Kin-Lic |
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| Rok vydání: | 2019 |
| Předmět: | |
| Zdroj: | Phys. Rev. B 101, 075131 (2020) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevB.101.075131 |
| Popis: | We describe a formulation of the density matrix embedding theory at finite temperature. We present a generalization of the ground-state bath orbital construction that embeds a mean-field finite-temperature density matrix up to a given order in the Hamiltonian, or the Hamiltonian up to a given order in the density matrix. We assess the performance of the finite-temperature density matrix embedding on the 1D Hubbard model both at half-filling and away from it, and the 2D Hubbard model at half-filling, comparing to exact data where available, as well as results from finite-temperature density matrix renormalization group, dynamical mean-field theory, and dynamical cluster approximations. The accuracy of finite-temperature density matrix embedding appears comparable to that of the ground-state theory, with at most a modest increase in bath size, and competitive with that of cluster dynamical mean-field theory. Comment: 9 pages, 8 figures |
| Databáze: | arXiv |
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