{"id":230,"date":"2021-05-27T12:48:14","date_gmt":"2021-05-27T03:48:14","guid":{"rendered":"http:\/\/www.physics.okayama-u.ac.jp\/jeschke-otsuki-group\/?post_type=topics&p=230"},"modified":"2021-09-24T18:32:53","modified_gmt":"2021-09-24T09:32:53","slug":"dcore-integrated-dmft-software-for-correlated-electrons-was-published-in-scipost-physics","status":"publish","type":"topics","link":"https:\/\/www.physics.okayama-u.ac.jp\/jeschke-otsuki-group\/topics\/dcore-integrated-dmft-software-for-correlated-electrons-was-published-in-scipost-physics\/","title":{"rendered":"DCore: Integrated DMFT software for correlated electrons"},"content":{"rendered":"

First-principles calculations are indispensable in researches of condensed matter physics. Using first-principles calculations based on density functional theory, the electronic structure of materials can be calculated from the chemical composition and the crystal structure. However, there is a group called strongly correlated electron systems, in which the density functional theory do not provide even qualitatively correct results. This is because the “quantum many-body effect” due to the Coulomb interaction between electrons is not considered properly. Dynamic mean field theory (DMFT) is a method that can incorporate quantum many-body effects that are lacking in density functional theory. Its demand has been increasing in recent years.
\nOur group is involved in the development of open-source software, DCore, that can perform dynamic mean field calculation using results of various first-principles packages. Development of a useful software is an important research for us and for condensed matter community.<\/p>\n

H.Shinaoka, J. Otsuki, M. Kawamura, N. Takemori, K. Yoshimi<\/p>\n

SciPost Phys. 10, 117 (2021) <https:\/\/doi.org\/10.21468\/SciPostPhys.10.5.117<\/a>><\/p>\n

\"\"<\/p>\n","protected":false},"excerpt":{"rendered":"

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