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Area of Science:

  • Quantum Chemistry
  • Condensed Matter Physics
  • Atomic and Molecular Clusters

Background:

  • The behavior of impurity molecules within helium and hydrogen clusters is crucial for understanding quantum phenomena.
  • Previous studies observed changes in the moment of inertia suggesting decoupling, but the underlying quantum mechanism remained unclear.

Purpose of the Study:

  • To elucidate the quantum decoupling mechanism of a CO molecule within 4HeN and p-H2N clusters.
  • To investigate the transition towards microscopic superfluidity in these systems.

Main Methods:

  • Development of a one-dimensional ring model for 4He atoms to simplify the system.
  • Application of Quantum Monte Carlo (QMC) and basis set calculations.
  • Modeling the system as a stirred Tonks-Girardeau gas to solve the N-particle time-dependent Schrödinger equation.

Main Results:

  • The effective moment of inertia shows a nonclassical decrease, indicating molecule-solvent decoupling.
  • Bosonic solvent-solvent repulsion was identified as the primary driver for quantum decoupling.
  • A threshold for stirring and current generation was computed, confirming superfluidity.

Conclusions:

  • Bosonic repulsion is the key mechanism enabling quantum decoupling and the onset of superfluidity in these clusters.
  • The stirred Tonks-Girardeau gas model provides an effective framework for studying these quantum phenomena.