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A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field

Chemical physics letters, 2020-12 [Peer Reviewed Journal]

info:eu-repo/semantics/openAccess ;ISSN: 0009-2614 ;EISSN: 1873-4448 ;DOI: 10.1016/j.cplett.2020.138041

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  • Title:
    A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field
  • Author: Adamowicz, Ludwik ; Stanke, Monika ; Tellgren, Erik ; Helgaker, Trygve
  • Is Part Of: Chemical physics letters, 2020-12
  • Description: Interactions of a stationary external magnetic field with the spin and orbital magnetic momenta of a molecule are included in the quantum mechanical model where the Born–Oppenheimer approximation is not assumed. The model is used to calculate some of the lowest-lying internal bound states of the molecule for various strengths of the magnetic field. All-particle explicitly correlated Gaussian functions are used in the calculations.
  • Language: Norwegian
  • Identifier: ISSN: 0009-2614
    EISSN: 1873-4448
    DOI: 10.1016/j.cplett.2020.138041
  • Source: NORA Norwegian Open Research Archives
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