HF Dimer in Small Helium Clusters: Interchange-Tunneling Dynamics in a Quantum Environment

Antonio Sarsa, Zlatko Bačić, Jules W. Moskowitz, and Kevin E. Schmidt
Phys. Rev. Lett. 88, 123401 – Published 11 March 2002
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Abstract

We present diffusion quantum Monte Carlo calculations of the interchange tunneling splitting of 4Hen(HF)2 clusters, n=110. The tunneling splitting decreases rapidly for n=14 clusters, and much more slowly for n>4. The decrease calculated for 4Hen(HF)2 represents 74% of the reduction in the tunneling splitting measured recently for HF dimer in nanodroplets of more than 2000 He atoms. The first four He atoms quench the interchange tunneling very efficiently by virtue of occupying the equatorial ring which encircles the C2h transition state of the tunneling pathway.

  • Received 7 August 2001

DOI:https://doi.org/10.1103/PhysRevLett.88.123401

©2002 American Physical Society

Authors & Affiliations

Antonio Sarsa

  • International School for Advanced Studies, SISSA, Via Beirut 2/4, I-34014 Trieste, Italy

Zlatko Bačić* and Jules W. Moskowitz

  • Department of Chemistry, New York University, New York, New York 10003

Kevin E. Schmidt

  • Department of Physics and Astronomy, Arizona State University, Tempe, Arizona 85287

  • *Corresponding author. Email address: zlatko.bacic@nyu.edu

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Vol. 88, Iss. 12 — 25 March 2002

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