Fully quantum 3D rovibrational spectra of H2 in strong magnetic fields are computed by combining CCSD London-orbital potential surfaces with a gauge-invariant Wilson-Hamiltonian nuclear solver.
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A Quantum Mechanical Approach to the Computation of Rovibrational Spectra of Diatomic Molecules in Strong Magnetic Fields
Fully quantum 3D rovibrational spectra of H2 in strong magnetic fields are computed by combining CCSD London-orbital potential surfaces with a gauge-invariant Wilson-Hamiltonian nuclear solver.