Ab Initio Full Cell GW+DMFT for Correlated Materials
The quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal through a new ab initio formulation of dynamical mean-field theory (DMFT). Instead of using small impurities define...
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| Auteurs principaux: | , |
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| Format: | article |
| Langue: | EN |
| Publié: |
American Physical Society
2021
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| Sujets: | |
| Accès en ligne: | https://doaj.org/article/98ab7f43c7e4488bb3ccc27838989886 |
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