IDEAS home Printed from https://ideas.repec.org/h/spr/sprchp/978-3-642-58600-2_18.html
   My bibliography  Save this book chapter

Hydrogen Molecule in a Magnetic Field: The Global Ground State of the Parallel Configuration

In: High Performance Computing in Science and Engineering ’98

Author

Listed:
  • Thomas Detmer

    (Universität Heidelberg, Theoretische Chemie, Physikalisch-Chemisches Institut)

  • Peter Schmelcher

    (Universität Heidelberg, Theoretische Chemie, Physikalisch-Chemisches Institut)

  • Lorenz S. Cederbaum

    (Universität Heidelberg, Theoretische Chemie, Physikalisch-Chemisches Institut)

Abstract

The electronic structure of the hydrogen molecule in a magnetic field is investigated for parallel internuclear and magnetic field axes. The lowest states with 1Σg, 3Σu, and 3∏u symmetry are studied for a broad range of field strengths 0 ≤ B ≤ 100 a.u. As a major result we determine the transition field strengths for the crossings among these states: The global ground state for B ≲ 0.18 a.u. is the strongly bound 1Σg state. The crossing of the 1Σg with the 3Σu state occurs at B ≈ 0.18 a.u. while the crossing between the 3Σu and 3∏u state occurs at B ≈ 12.3 a.u. Therefore, the global ground state of the hydrogen molecule for the parallel configuration is the unbound 3Σu state for 0.18 ≲ B ≲ 12.3 a.u. The ground state for B ≳ 12.3 a.u. is the strongly bound 3∏u state. This result is of great relevance to the chemistry in the atmospheres of magnetic white dwarfs and neutron stars.

Suggested Citation

  • Thomas Detmer & Peter Schmelcher & Lorenz S. Cederbaum, 1999. "Hydrogen Molecule in a Magnetic Field: The Global Ground State of the Parallel Configuration," Springer Books, in: Egon Krause & Willi Jäger (ed.), High Performance Computing in Science and Engineering ’98, pages 161-175, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-58600-2_18
    DOI: 10.1007/978-3-642-58600-2_18
    as

    Download full text from publisher

    To our knowledge, this item is not available for download. To find whether it is available, there are three options:
    1. Check below whether another version of this item is available online.
    2. Check on the provider's web page whether it is in fact available.
    3. Perform a
    for a similarly titled item that would be available.

    More about this item

    Keywords

    ;
    ;
    ;
    ;
    ;

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:spr:sprchp:978-3-642-58600-2_18. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.springer.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.