Photoabsorption spectra of argon cation clusters: Monte Carlo simulations using many-body polarization | Zendy

José A. Gascón | Zendy; Randall W. Hall | Zendy

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Photoabsorption spectra of argon cation clusters: Monte Carlo simulations using many-body polarization

Author(s) -

José A. Gascón,

Randall W. Hall

Publication year - 2000

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1312825

Subject(s) - polarization (electrochemistry) , monte carlo method , excited state , argon , spectral line , cluster (spacecraft) , atomic physics , chemistry , ground state , molecular physics , physics , quantum mechanics , statistics , mathematics , computer science , programming language

A simple, semiempirical model that includes many-body polarization is used to study the ground and excited state properties of ArN+ clusters (N=3–23) at 80 K. For purposes of comparison, a model that does not include many-body polarization is used to study clusters with N=3–27. Monte Carlo simulations are used to calculate the average properties of these clusters. The model is similar to one previously used to study argon cation clusters without many-body polarization. The photoabsorption spectrum is in good agreement with experiment; in particular, the photoabsorption spectra for cluster sizes 4–10 do not show the blueshift that is seen with models that do not include many-body polarization.

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