Zero-point averaged dynamics of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si67.svg"><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">Ar</mml:mi></mml:mrow><mml:mrow><mml:mi>n</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msubsup><mml:msub><mml:mrow><mml:mi mathvariant="normal">He</mml:mi></mml:mrow><mml:mrow><mml:mn>1000</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>: Dopant-size influence on potential-energy surfaces, mass spectra and…

نویسندگان

چکیده

The fragmentation of Arn+He1000 (n=3,5) is investigated by zero-point averaged dynamics (ZPAD) and compared with recent results on Ar4+He1000 to investigate the influence dopant size. At core ZPAD, effective He-He potentials converged for He1000 ArnHe1000 are found alike which suggests that ZPAD simulations argon-doped helium nanodroplets (HNDs) could restrict obtained pure HNDs. clusters share a number similarities, like absence Ar+-containing fragments, occurrence ion ejections trappings, Arn+ electronic relaxation typically extending picosecond time scale, or primary events not necessarily representative final distribution fragments. However, Ar3+He1000 also exhibit unexpected behaviors an inefficient when starts uppermost Ar3+ state makes trapped within droplet.

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ژورنال

عنوان ژورنال: Chemical Physics

سال: 2021

ISSN: ['0301-0104', '1873-4421']

DOI: https://doi.org/10.1016/j.chemphys.2021.111307