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Electronic structure calculations of small AI_n (n = 2 - 8) clusters

Bastug, Turgut
Sepp, Wolf-Dieter
Fricke, Burkhard
Heinemann, Dirk
Kolb, Dietmar

The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.

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@article{urn:nbn:de:hebis:34-2008080123002,
  author    ={Bastug, Turgut and Sepp, Wolf-Dieter and Fricke, Burkhard and Heinemann, Dirk and Kolb, Dietmar},
  title    ={Electronic structure calculations of small AI_n (n = 2 - 8) clusters},
  copyright  ={https://rightsstatements.org/page/InC/1.0/},
  language ={en},
  year   ={1992}
}