Projects funded by the NCN
Opracowanie i implementacja nowych, hybrydowych funkcjonałów wymienno-korelacyjnych w teorii funkcjonałów gęstości (DFT).
2015/16/T/ST4/00261
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 3 - announced on 2014-12-15
Amount awarded: 101 694 PLN
Project start date (Y-m-d): 2015-10-01
Project end date (Y-m-d): 2016-09-30
Project duration:: 12 months (the same as in the proposal)
Project status: Project settled
Information in the final report
- Publication in academic press/journals (1)
- Self-consistent double-hybrid density-functional theory using the optimized-effective-potential methodAuthors:S. Śmiga, O. Franck, B. Mussard, A. T. Buksztel, I. K. Grabowski, E. Luppi, J. ToulouseAcademic press:Journal of Chemical Physics (rok: 2016, tom: 145, strony: od 144102-1 do 144102-12), Wydawca: American Institute of PhysicsStatus:PublishedDOI:10.1063/1.4964319 - link to the publication