Please use this identifier to cite or link to this item:
Title: Ionization energy and electron affinity of a metal cluster in the stabilized jellium model: Size effect and charging limit
Authors: Seidl, Michael F 
Perdew, John P. 
Brajczewska, Marta 
Fiolhais, Carlos 
Issue Date: 15-May-1998
Publisher: American Institute of Physics
Citation: Journal of Chemical Physics. 108:19 (1998) 8182-8189
Abstract: We report the first reliable theoretical calculation of the quantum size correction c which yields the asymptotic ionization energy I(R) = W + ((1/2) + c)/R + O(R–2) of a simple-metal cluster of radius R. Restricted-variational electronic density profiles are used to evaluate two sets of expressions for the bulk work function W and quantum size correction c: the Koopmans expressions, and the more accurate and profile-insensitive Delta SCF expressions. We find c [approximate] –0.08 for stabilized (as for ordinary) jellium, and thus for real simple metals. We present parameters from which the density profiles may be reconstructed for a wide range of cluster sizes, including the planar surface. We also discuss how many excess electrons can be bound by a neutral cluster of given size. Within a continuum picture, the criterion for total-energy stability of a negatively charged cluster is less stringent than that for existence of a self-consistent solution
ISSN: 0021-9606
Rights: openAccess
Appears in Collections:FCTUC Física - Artigos em Revistas Internacionais

Files in This Item:
File Description SizeFormat
Ionization energy and electron affinity.pdf159.34 kBAdobe PDFView/Open
Show full item record

Page view(s) 50

checked on Oct 20, 2021

Download(s) 50

checked on Oct 20, 2021

Google ScholarTM


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.