Projects funded by the NCN
Efektywny opis korelacji elektronowej w funkcjonałach wymienno-korelacyjnych w Teorii Funkcjonałów Gęstości.
2013/08/T/ST4/00032
Keywords:
Descriptors:
- ST4_15: Colloid chemistry
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Mikołaja Kopernika, Wydział Fizyki, Astronomii i Informatyki Stosowanej
woj. kujawsko-pomorskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: ETIUDA 1 - announced on 2012-12-15
Amount awarded: 67 782 PLN
Project start date (Y-m-d): 2013-10-01
Project end date (Y-m-d): 2014-09-30
Project duration:: 12 months (the same as in the proposal)
Project status: Project settled
Information in the final report
- Publication in academic press/journals (2)
- Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential methodAuthors:Ireneusz Grabowski, Eduardo Fabiano, Andrew M. Teale, Szymon Śmiga, Adam Buksztel,Fabio Della SalaAcademic press:The Journal of Chemical Physics (rok: 2014, tom: 141, strony: 24113), Wydawca: AIP PublishingStatus:PublishedDOI:10.1063/1.4887097 - link to the publication
- Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionalsAuthors:Szymon Śmiga, Eduardo Fabiano,Savio Laricchia, Lucian A. Constantin,Fabio Della SalaAcademic press:The Journal of Chemical Physics (rok: 2015, tom: 142, strony: 154121-12), Wydawca: AIP PublishingStatus:PublishedDOI:10.1063/1.4917257 - link to the publication