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Rovibrational Resonances in H2He.

Dóra Papp1, Attila G Császár1, Kaoru Yamanouchi2

  • 1Laboratory of Molecular Structure and Dynamics, Institute of Chemistry , Eötvös Loránd University and MTA-ELTE Complex Chemical Systems Research Group , Pázmány Péter sétány 1/A , H-1117 Budapest , Hungary.

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This study explores the metastable H2He+ complex, identifying over 200 long-lived states and their stabilization mechanisms. Dissociation pathways and branching ratios were revealed through advanced quantum chemical computations.

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Area of Science:

  • Quantum Chemistry
  • Molecular Dynamics
  • Spectroscopy

Background:

  • The H2He+ complex is a metastable system with intriguing nuclear dynamics.
  • Understanding its resonance states is crucial for molecular physics.

Purpose of the Study:

  • To explore the nuclear dynamics of the metastable H2He+ complex.
  • To characterize long-lived rovibrational resonance states and their stabilization mechanisms.

Main Methods:

  • Symmetry considerations and angular momentum addition rules.
  • Quantum chemical computations utilizing complex coordinate scaling, complex absorbing potential, and stabilization techniques.
  • Analysis of probability density plots and wave function overlaps.

Main Results:

  • Characterization of approximately 200 long-lived rovibrational resonance states.
  • Detailed analysis of selected long-lived states and their stabilization mechanisms.
  • Identification of dissociation pathways and calculation of branching ratios using a reduced-dimensional model.

Conclusions:

  • The study provides a comprehensive characterization of the H2He+ complex's resonance states.
  • Advanced computational methods reveal insights into stabilization mechanisms and dissociation dynamics.
  • The findings contribute to the understanding of molecular interactions and reaction pathways.