Natural orbital impurity solver for real-frequency properties at finite temperature
Fuente:
arXiv
Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2021
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1866914919582007296 |
|---|---|
| author | Kitatani, Motoharu Sakai, Shiro Arita, Ryotaro |
| author_facet | Kitatani, Motoharu Sakai, Shiro Arita, Ryotaro |
| contents | We extend the natural orbital impurity solver [PRB 90, 085102 (2014)] to finite temperatures and apply it to calculate spectral and transport properties of correlated electrons within the dynamical mean-field theory. First, we benchmark our method against the exact diagonalization result for small clusters, finding that the natural orbital scheme works well not only for zero temperature but for low finite temperatures. The method yields smooth and sufficiently accurate spectra, which agree well with the results of the numerical renormalization group. Using the smooth spectra, we calculate the electric conductivity and Seebeck coefficient for the two-dimensional Hubbard model at low temperatures which are in the scope of many experiments and practical applications. These results demonstrate the usefulness of the natural orbital framework for obtaining the real frequency information of correlated electron systems. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2107_06517 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Natural orbital impurity solver for real-frequency properties at finite temperature Kitatani, Motoharu Sakai, Shiro Arita, Ryotaro Strongly Correlated Electrons We extend the natural orbital impurity solver [PRB 90, 085102 (2014)] to finite temperatures and apply it to calculate spectral and transport properties of correlated electrons within the dynamical mean-field theory. First, we benchmark our method against the exact diagonalization result for small clusters, finding that the natural orbital scheme works well not only for zero temperature but for low finite temperatures. The method yields smooth and sufficiently accurate spectra, which agree well with the results of the numerical renormalization group. Using the smooth spectra, we calculate the electric conductivity and Seebeck coefficient for the two-dimensional Hubbard model at low temperatures which are in the scope of many experiments and practical applications. These results demonstrate the usefulness of the natural orbital framework for obtaining the real frequency information of correlated electron systems. |
| title | Natural orbital impurity solver for real-frequency properties at finite temperature |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2107.06517 |