Projects funded by the NCN
A new approach to the multicentre integrals over Slater-type orbitals
2016/21/N/ST4/03732
Keywords:
Slater-type orbitals matrix elements Neumann expansion
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 Warszawski, Wydział Chemii
woj. mazowieckie
Principal investigator (from the host institution):
Number of co-investigators in the project: 2
Call: PRELUDIUM 11 - announced on 2016-03-15
Amount awarded: 59 600 PLN
Project start date (Y-m-d): 2017-02-06
Project end date (Y-m-d): 2019-08-05
Project duration:: 30 months (the same as in the proposal)
Project status: Project settled
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.
Equipment purchased [PL]
- Zakup pojedyńczej licencji programu Mathematica 10 (6 000 PLN)
- Stacja robocza (komputer) (8 000 PLN)
Information in the final report
- Publication in academic press/journals (1)
- Ab initio Potential Energy Curve for the Ground State of Beryllium DimerAuthors:Michał Lesiuk, Michał Przybytek, Justyna G. Balcerzak, Monika Musiał, Robert MoszyńskiAcademic press:Journal of Chemical Theory and Computation (rok: 2019, tom: 40, strony: 1319-1332), Wydawca: American Chemical SocietyStatus:PublishedDOI:10.1021/acs.jctc.8b00845 - link to the publication