Fermionic orbital optimisation in tensor network states
| Autor: | Krumnow, C., Veis, L., Legeza, Ö., Eisert, J. |
|---|---|
| Rok vydání: | 2015 |
| Předmět: | |
| Zdroj: | Phys. Rev. Lett. 117, 210402 (2016) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1103/PhysRevLett.117.210402 |
| Popis: | Tensor network states and specifically matrix-product states have proven to be a powerful tool for simulating ground states of strongly correlated spin models. Recently, they have also been applied to interacting fermionic problems, specifically in the context of quantum chemistry. A new freedom arising in such non-local fermionic systems is the choice of orbitals, it being far from clear what choice of fermionic orbitals to make. In this work, we propose a way to overcome this challenge. We suggest a method intertwining the optimisation over matrix product states with suitable fermionic Gaussian mode transformations. The described algorithm generalises basis changes in the spirit of the Hartree-Fock method to matrix-product states, and provides a black box tool for basis optimisation in tensor network methods. Comment: 9 pages, 9 figures, added substantial material to signify improved numerical performance |
| Databáze: | arXiv |
| Externí odkaz: |
|