A new approach to the multicentre integrals over Slater-type orbitals
2016/21/N/ST4/03732
Keywords
Descriptors
- ST4_15: Chemia teoretyczna i obliczeniowa
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Uniwersytet Warszawski, Wydział Chemii
Voivodeship: 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
- 2017-02-06
- Project end date
- 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]
- Stacja robocza (komputer). Cost: 8 000 PLN
- Zakup pojedyńczej licencji programu Mathematica 10. Cost: 6 000 PLN
Information in the final report
Publication in academic press/journals (1)
-
Ab initio Potential Energy Curve for the Ground State of Beryllium Dimer
- Authors:
- Michał Lesiuk, Michał Przybytek, Justyna G. Balcerzak, Monika Musiał, Robert Moszyński
- Academic press:
- Journal of Chemical Theory and Computation (year: 2019, volume: 40, pages: 1319-1332), Publisher: American Chemical Society
- Status:
- Published
- DOI:
- 10.1021/acs.jctc.8b00845 – link to the publication