Nonadiabatic rotational states of hydrogen molecule

2017/25/B/ST4/01024

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 im. Adama Mickiewicza w Poznaniu, Wydział Chemii

Voivodeship: 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
2018-01-03
Project end date
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 pcs). Cost: 102 000 PLN

Information in the final report

Publication in academic press/journals (8)

  1. 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 (year: 2018, volume: 120, pages: 153001), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevLett.120.153001 – link to the publication
  2. Nonrelativistic energy levels of HD

    Authors:
    Krzysztof Pachucki, Jacek Komasa
    Academic press:
    Physical Chemistry Chemical Physics (year: 2018, volume: 20, pages: 26297-26302), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/c8cp05493b – link to the publication
  3. 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 (year: 2018, volume: 121, pages: 73001), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevLett.121.073001 – link to the publication
  4. 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 (year: 2019, volume: 630, pages: A58), Publisher: EDP Sciences
    Status:
    Published
    DOI:
    10.1051/0004-6361/201936249 – link to the publication
  5. Dissociation energy of molecular hydrogen isotopologues

    Authors:
    Mariusz Puchalski, Jacek Komasa, Anna Spyszkiewicz, and Krzysztof Pachucki
    Academic press:
    Physical Review A (year: 2019, volume: 100, pages: 020503(R)), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.100.020503 – link to the publication
  6. Nonrelativistic energy levels of D2

    Authors:
    Krzysztof Pachucki, Jacek Komasa
    Academic press:
    Physical Chemistry Chemical Physics (year: 2019, volume: 21, pages: 10272-10276), Publisher: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C9CP01308C – 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 (year: 2019, volume: 100, pages: 32519), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.100.032519 – link to the publication
  8. 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 (year: 2018, volume: 98, pages: 52506), Publisher: American Physical Society
    Status:
    Published
    DOI:
    10.1103/PhysRevA.98.052506 – link to the publication

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