Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Michal Hartstein"'
Publikováno v:
Journal of Chemical Theory and Computation. 18:2331-2340
We study the optimal tuning of the free parameters in range-separated double hybrid functionals, based on enforcing the exact conditions of piecewise linearity and spin constancy. We find that introducing the range separation in both the exchange and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bd3a3dd7301c0fbdd203bfdf7d4f144
https://doi.org/10.1021/acs.jctc.2c00082
https://doi.org/10.1021/acs.jctc.2c00082
Autor:
Igor Lubomirsky, Michal Hartstein, Ellen Wachtel, Tsachi Livneh, Eran Mishuk, Evgeniy Makagon, Olga Kraynis
Publikováno v:
Advanced Functional Materials. 29:1970070
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1794316d03be3736b54b3032c5e7d799
https://doi.org/10.1002/adfm.201970070
https://doi.org/10.1002/adfm.201970070
Autor:
Tsachi Livneh, Michal Hartstein, Eran Mishuk, Evgeniy Makagon, Igor Lubomirsky, Olga Kraynis, Ellen Wachtel
Publikováno v:
Advanced Functional Materials. 29:1804433
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1452627aecaf263ce70bb5338d6d78a
https://doi.org/10.1002/adfm.201804433
https://doi.org/10.1002/adfm.201804433