Projects funded by the NCN
Modeling electroluminescent materials using a new family of electronic structure methods
2022/47/D/ST4/01834
Keywords:
coupled cluster photochemistry electroluminescence electronic structure excited states
Descriptors:
- ST4_004:
Panel:
ST4 - Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution :
Uniwersytet Warszawski, Wydział Chemii
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: SONATA 18 - announced on 2022-07-15
Amount awarded: 419 600 PLN
Project start date (Y-m-d): 2023-06-27
Project end date (Y-m-d): 2026-06-26
Project duration:: 36 months (the same as in the proposal)
Project status: Project completed
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.
Information in the final report
- Publication in academic press/journals (1)
- Rank-reduced equation-of-motion coupled cluster triples: an accurate and affordable way of calculating electronic excitation energiesAuthors:Piotr Michalak, Michał LesiukAcademic press:Journal of Chemical Theory and Computation (rok: 2024, tom: 20, strony: 8970-8983), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.jctc.4c00959 - link to the publication