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Hyperfine Rovibrational States of H_{3}^{+} in a Weak External Magnetic Field
Gustavo Avila1, Ayaki Sunaga1, Stanislav Komorovsky2
1Eötvös Loránd University, ELTE, Institute of Chemistry, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary.
Abstract:
Rovibrational energies, wave functions, and Raman transition moments are reported for the lowest-energy states of the H_{3}^{+} molecular ion including the magnetic couplings of the proton spins and molecular rotation in the presence of a weak external magnetic field. The rovibrational-hyperfine-Zeeman Hamiltonian matrix is constructed and diagonalized using the rovibrational eigenstates and the proton spin functions. The developed methodology can be used to compute hyperfine-Zeeman effects also for higher-energy rovibrational excitations of H_{3}^{+} and other closed-shell polyatomic molecules. These developments will guide future experiments extending quantum logic spectroscopy to polyatomic systems.
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