dorsal/arxiv
View SchemaPhotoabsorption Spectra of Na_n+ clusters: Thermal Line-Broadening Mechanisms
| Authors | M. Moseler, H. Hakkinen, Uzi Landman |
|---|---|
| Categories | |
| ArXiv ID | physics/0105078 |
| URL | https://arxiv.org/abs/physics/0105078 |
| DOI | 10.1103/PhysRevLett.87.053401 |
Abstract
Photoabsorption cross sections of small sodium cluster cations (Na$_n^+$, n=3,5,7 and 9) were calculated at various temperatures with the time-dependent local-density-approximation (TDLDA) in conjunction with ab initio molecular dynamics simulations, yielding spectra that agree with measured ones without ad-hoc line broadening or renormalization. Three thermal line-broadening mechanisms are revealed: (I) lifting of level degeneracies caused by symmetry-breaking ionic motions, (II) oscillatory shifts of the entire spectrum caused by breathing vibrations, and (III) cluster structural isomerizations.
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"abstract": "Photoabsorption cross sections of small sodium cluster cations (Na$_n^+$,\nn=3,5,7 and 9) were calculated at various temperatures with the time-dependent\nlocal-density-approximation (TDLDA) in conjunction with ab initio molecular\ndynamics simulations, yielding spectra that agree with measured ones without\nad-hoc line broadening or renormalization. Three thermal line-broadening\nmechanisms are revealed: (I) lifting of level degeneracies caused by\nsymmetry-breaking ionic motions, (II) oscillatory shifts of the entire spectrum\ncaused by breathing vibrations, and (III) cluster structural isomerizations.",
"arxiv_id": "physics/0105078",
"authors": [
"M. Moseler",
"H. Hakkinen",
"Uzi Landman"
],
"categories": [
"physics.atm-clus",
"physics.comp-ph"
],
"doi": "10.1103/PhysRevLett.87.053401",
"title": "Photoabsorption Spectra of Na_n+ clusters: Thermal Line-Broadening Mechanisms",
"url": "https://arxiv.org/abs/physics/0105078"
},
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