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

Ludwik Adamowicz, Monika Stanke, Erik Tellgren, Trygve Helgaker

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Original languageEnglish (US)
Article number138041
JournalChemical Physics Letters
Volume761
DOIs
StatePublished - Dec 16 2020

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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