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Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations

Jaakko Akola·Matti Manninen·Hannu Hakkinen·Uzi Landman·Xi Li·Lai-Sheng Wang
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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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Jaakko Akola, Matti Manninen, Hannu Hakkinen, Uzi Landman, Xi Li, Lai-Sheng Wang. 1999-09-29. Photoelectron spectra of aluminum cluster anions: Temperature effects and ab initio simulations. https://doi.org/10.1103/physrevb.60.r11297

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