DOI: 10.1039/d6ra01445c ISSN: 2046-2069

Quantum vibrational study of the proton-bound [Ar–H–He] + mixed noble-gas dimer

María Judit Montes de Oca-Estévez, Álvaro Valdés, Rita Prosmiti

A CCSD(T)/CBS machine-learning potential energy surface and MCTDH quantum calculations reveal the strongly anharmonic vibrational structure of the proton-bound mixed noble-gas complex [Ar–H–He] + , providing new spectroscopic benchmarks.

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