Development of the adiabatic variational theory for cold atom-diatomic molecule collision experiments
2016/23/D/ST4/00341
Keywords
Descriptors
- ST4_15: Chemia teoretyczna i obliczeniowa
- ST4_7: Fizyka chemiczna
- ST2_7: Fizyka atomowa i molekularna
Panel
ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development
Host institution
Uniwersytet Mikołaja Kopernika, Wydział Chemii
Voivodeship: kujawsko-pomorskie
Principal investigator (from the host institution)
Number of co-investigators in the project: 1
Call
SONATA 12 – announced on 2016-09-15
- Amount awarded
- 164 912 PLN
- Project start date
- 2017-09-01
- Project end date
- 2020-06-30
- Project duration
- 34 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]
- Dwunastozatokowa sieciowa pamięć masowa do klastra komputerowego. Cost: 20 000 PLN
- MATLAB + zestaw narzędzi programistycznych do obliczeń równoległych. Cost: 3 600 PLN
- Notebook. Cost: 4 500 PLN
Information in the final report
Publication in academic press/journals (3)
-
Quantum effects in cold molecular collisions from spatial polarization of electronic wave function
- Authors:
- Debarati Bhattacharya, Mariusz Pawlak, Anael Ben-Asher, Arie Landau, Idan Haritan, Edvardas Narevicius, and Nimrod Moiseyev
- Academic press:
- Journal of Physical Chemistry Letters (year: 2019, volume: 10, pages: 855−863), Publisher: ACS Publications
- Status:
- Published
- DOI:
- 10.1021/acs.jpclett.8b03807 – link to the publication
-
Evidence of nonrigidity effects in the description of low-energy anisotropic molecular collisions of hydrogen molecules with excited metastable helium atoms
- Authors:
- Mariusz Pawlak, Piotr S. Żuchowski, Nimrod Moiseyev, Piotr Jankowski
- Academic press:
- Journal of Chemical Theory and Computation (year: 2020, volume: 16, pages: 2450−2459), Publisher: ACS Publications
- Status:
- Published
- DOI:
- 10.1021/acs.jctc.0c00183 – link to the publication
-
Simple closed-form expression for Penning reaction rate coefficients for cold molecular collisions by non-Hermitian time-independent adiabatic scattering theory
- Authors:
- Mariusz Pawlak, Anael Ben-Asher, Nimrod Moiseyev
- Academic press:
- Journal of Chemical Theory and Computation (year: 2018, volume: 14, pages: 236-241), Publisher: ACS Publications
- Status:
- Published
- DOI:
- 10.1021/acs.jctc.7b01017 – link to the publication