{"has_accepted_license":"1","quality_controlled":"1","oa":"1","abstract":[{"text":"Inspired by earlier work on the band-gap problem in insulators, we reexamine the treatment of strongly correlated Hubbard-type models within density-functional theory. In contrast to previous studies, the density is fully parametrized by occupation numbers and overlap of orbitals centered at neighboring atomic sites, as is the local potential by the hopping matrix. This corresponds to a good formal agreement between density-functional theory in real space and second quantization. It is shown that density-functional theory is formally applicable to such systems and the theoretical framework is provided. The question of noninteracting v representability is studied numerically for finite one-dimnsional clusters, for which exact results are available, and qualitatively for infinite systems. This leads to the conclusion that the electron density corresponding to interacting systems of the type studied here is in fact not noninteracting v representable because the Kohn-Sham electrons are unable to reproduce the correlation-induced localization correctly.","lang":"eng"}],"file_date_updated":"2020-08-30T16:27:22Z","date_created":"2020-08-28T22:09:57Z","isi":"1","ddc":["530"],"publication_status":"published","issue":"16","doi":"10.1103/PhysRevB.51.10427","page":"10427-10435","file":[{"file_id":"18631","file_name":"PhysRevB.51.10427.pdf","content_type":"application/pdf","access_level":"open_access","relation":"main_file","title":"Density-functional theory and the v-representability problem for model strongly correlated electron systems","description":"© 1995 American Physical Society","date_created":"2020-08-28T22:11:01Z","date_updated":"2020-08-30T16:27:22Z","creator":"schindlm","file_size":541229}],"status":"public","intvolume":"        51","year":"1995","extern":"1","author":[{"full_name":"Schindlmayr, Arno","id":"458","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","first_name":"Arno"},{"first_name":"Rex William","last_name":"Godby","full_name":"Godby, Rex William"}],"publisher":"American Physical Society","_id":"18630","title":"Density-functional theory and the v-representability problem for model strongly correlated electron systems","publication_identifier":{"issn":["0163-1829"],"eissn":["1095-3795"]},"volume":51,"external_id":{"isi":["A1995QW28400017"],"pmid":["9977737"],"arxiv":["cond-mat/9709266"]},"user_id":"458","citation":{"ieee":"A. Schindlmayr and R. W. Godby, “Density-functional theory and the v-representability problem for model strongly correlated electron systems,” <i>Physical Review B</i>, vol. 51, no. 16, pp. 10427–10435, 1995, doi: <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>.","mla":"Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the v-Representability Problem for Model Strongly Correlated Electron Systems.” <i>Physical Review B</i>, vol. 51, no. 16, American Physical Society, 1995, pp. 10427–35, doi:<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>.","bibtex":"@article{Schindlmayr_Godby_1995, title={Density-functional theory and the v-representability problem for model strongly correlated electron systems}, volume={51}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>}, number={16}, journal={Physical Review B}, publisher={American Physical Society}, author={Schindlmayr, Arno and Godby, Rex William}, year={1995}, pages={10427–10435} }","ama":"Schindlmayr A, Godby RW. Density-functional theory and the v-representability problem for model strongly correlated electron systems. <i>Physical Review B</i>. 1995;51(16):10427-10435. doi:<a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">10.1103/PhysRevB.51.10427</a>","chicago":"Schindlmayr, Arno, and Rex William Godby. “Density-Functional Theory and the v-Representability Problem for Model Strongly Correlated Electron Systems.” <i>Physical Review B</i> 51, no. 16 (1995): 10427–35. <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">https://doi.org/10.1103/PhysRevB.51.10427</a>.","apa":"Schindlmayr, A., &#38; Godby, R. W. (1995). Density-functional theory and the v-representability problem for model strongly correlated electron systems. <i>Physical Review B</i>, <i>51</i>(16), 10427–10435. <a href=\"https://doi.org/10.1103/PhysRevB.51.10427\">https://doi.org/10.1103/PhysRevB.51.10427</a>","short":"A. Schindlmayr, R.W. Godby, Physical Review B 51 (1995) 10427–10435."},"pmid":"1","language":[{"iso":"eng"}],"article_type":"original","type":"journal_article","date_updated":"2022-11-11T07:01:30Z","publication":"Physical Review B"}