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Updated: Jan 20, 2026

Time-resolved ElectroSpray Ionization Hydrogen-deuterium Exchange Mass Spectrometry for Studying Protein Structure and Dynamics
Published on: April 17, 2017
Non-adiabatic mass correction for excited states of molecular hydrogen: Improvement for the outer-well HH¯ 1Σg + term
1Institute of Chemistry, ELTE, Eötvös Loránd University, Pázmány Péter Sétány 1/A, Budapest H-1117, Hungary.
Abstract:
The mass-correction function is evaluated for selected excited states of the hydrogen molecule within a single-state nonadiabatic treatment. Its qualitative features are studied at the avoided crossing of the EF with the GK state and also for the outer well of the HH¯ state. For the HH¯ state, a negative mass correction is obtained for the vibrational motion near the outer minimum, which accounts for most of the deviation between experiment and earlier theoretical work.
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