ISSN:
1434-6079
Schlagwort(e):
31.20.Tz
;
31.50.+w
;
36.40.+d
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Physik
Notizen:
Abstract The ground state geometries of small neutral Ag n (n=2–9) and charged Ag n ± (n=2–9) clusters have been determined in the framework of the SCF procedure employing a relativistic pseudopotential accounting for core-valence correlation effects (RECP-CVC). Similarities and differences between neutral and charged clusters have been found. Large scale CI for 5s electrons only has been carried out for determining stabilities, ionization potentials (IP) and vertical detachment energies (VDE) of anions. A comparison between predicted and measured observables allows for the tentative structural assignments. In addition, the low lying energies of excited states for the neutral species at the anionic geometries have been calculated to account fully for geometrical and spectroscopic assignment to the photodetachment measurements.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01429171
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