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

Preprint

29 September 1999

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.physics/9909058

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.

Keywords

ALUMINUM CLUSTER ANIONS
SPECTRA FROM ALUMINUM
PHOTOELECTRON SPECTRA
DENSITIES OF STATES
MOLECULAR DYNAMICS
CLUSTER ANIONS
TEMPERATURE
AB INITIO

All Related Versions

Version 1, 1999-09-29, ArXiv
Published version: Physical Review B, 60 (16), R11297.

This publication has 0 references indexed in Scilit: