dorsal/arxiv
View SchemaPhotoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations
| Authors | Jaakko Akola, Matti Manninen, Hannu Hakkinen, Uzi Landman, Xi Li, Lai-Sheng Wang |
|---|---|
| Categories | |
| ArXiv ID | physics/9909058 |
| URL | https://arxiv.org/abs/physics/9909058 |
| DOI | 10.1103/PhysRevB.60.R11297 |
| Journal | Phys. Rev. B 60, 11297 (1999) |
Abstract
Photoelectron (PES) spectra from aluminum cluster anions (from 12 to 15 atoms) at various temperature regimes, were studied using ab-initio molecular dynamics simulations and experimentally. The calculated PES spectra, obtained via shifting of the simulated electronic densities of states by the self-consistently determined values of the asymptotic exchange-correlation potential, agree well with the measured ones, allowing reliable structural assignments and theoretical estimation of the clusters' temperatures.
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"abstract": "Photoelectron (PES) spectra from aluminum cluster anions (from 12 to 15\natoms) at various temperature regimes, were studied using ab-initio molecular\ndynamics simulations and experimentally. The calculated PES spectra, obtained\nvia shifting of the simulated electronic densities of states by the\nself-consistently determined values of the asymptotic exchange-correlation\npotential, agree well with the measured ones, allowing reliable structural\nassignments and theoretical estimation of the clusters\u0027 temperatures.",
"arxiv_id": "physics/9909058",
"authors": [
"Jaakko Akola",
"Matti Manninen",
"Hannu Hakkinen",
"Uzi Landman",
"Xi Li",
"Lai-Sheng Wang"
],
"categories": [
"physics.atm-clus"
],
"doi": "10.1103/PhysRevB.60.R11297",
"journal_ref": "Phys. Rev. B 60, 11297 (1999)",
"title": "Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations",
"url": "https://arxiv.org/abs/physics/9909058"
},
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