Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

Equipment

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Nonadiabatic rotational states of hydrogen molecule

2017/25/B/ST4/01024

Keywords:

quantum-mechanical calculations hydrogen molecule nonadiabatic wave function

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 im. Adama Mickiewicza w Poznaniu, Wydział Chemii

woj. wielkopolskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

prof. Jacek Komasa 

Number of co-investigators in the project: 3

Call: OPUS 13 - announced on 2017-03-15

Amount awarded: 454 800 PLN

Project start date (Y-m-d): 2018-01-03

Project end date (Y-m-d): 2021-10-02

Project duration:: 45 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]

  1. Dwa serwery obliczeniowe (2 szt.) (102 000 PLN)

Information in the final report

  • Publication in academic press/journals (9)
  1. Dissociation energy of molecular hydrogen isotopologues
    Authors:
    Mariusz Puchalski, Jacek Komasa, Anna Spyszkiewicz, and Krzysztof Pachucki
    Academic press:
    Physical Review A (rok: 2019, tom: 100, strony: 020503(R)), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.100.020503 - link to the publication
  2. Nonrelativistic energy levels of D2
    Authors:
    Krzysztof Pachucki, Jacek Komasa
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2019, tom: 21, strony: 10272-10276), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C9CP01308C - link to the publication
  3. The full infrared spectrum of molecular hydrogen
    Authors:
    E. Roueff, H. Abgrall, P. Czachorowski, K. Pachucki, M. Puchalski and J. Komasa
    Academic press:
    Astronomy & Astrophysics (rok: 2019, tom: 630, strony: A58), Wydawca: EDP Sciences
    Status:
    Published
    DOI:
    10.1051/0004-6361/201936249 - link to the publication
  4. Nonadiabatic Relativistic Correction to the Dissociation Energy of H2, D2, and HD
    Authors:
    Mariusz Puchalski, Anna Spyszkiewicz, Jacek Komasa, Krzysztof Pachucki
    Academic press:
    PHYSICAL REVIEW LETTERS (rok: 2018, tom: 121, strony: 73001), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevLett.121.073001 - link to the publication
  5. Nonrelativistic energy levels of HD
    Authors:
    Krzysztof Pachucki, Jacek Komasa
    Academic press:
    Physical Chemistry Chemical Physics (rok: 2018, tom: 20, strony: 26297-26302), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c8cp05493b - link to the publication
  6. Toward a Determination of the Proton-Electron Mass Ratio from the Lamb-Dip Measurement of HD
    Authors:
    L.-G. Tao, A.-W. Liu, K. Pachucki, J. Komasa, Y. R. Sun, J. Wang, S.-M. Hu
    Academic press:
    PHYSICAL REVIEW LETTERS (rok: 2018, tom: 120, strony: 153001), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevLett.120.153001 - link to the publication
  7. Rovibrational energy levels of the hydrogen molecule through nonadiabatic perturbation theory
    Authors:
    Jacek Komasa, Mariusz Puchalski, Paweł Czachorowski, Grzegorz Łach, and Krzysztof Pachucki
    Academic press:
    Physical Review A (rok: 2019, tom: 100, strony: 32519), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.100.032519 - link to the publication
  8. Nonrelativistic energy of tritium-containing hydrogen molecule isotopologues
    Authors:
    Krzysztof Pachucki, Jacek Komasa
    Academic press:
    Molecular Physics , Wydawca: Taylor & Francis
    Status:
    Submitted
    DOI:
    brak - link to the publication
  9. Nonadiabatic relativistic correction in H-2, D-2, and HD
    Authors:
    Paweł Czachorowski, Mariusz Puchalski, Jacek Komasa, and Krzysztof Pachucki
    Academic press:
    Physical Review A (rok: 2018, tom: 98, strony: 52506), Wydawca: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.98.052506 - link to the publication

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