Metal-cluster ionization energy: A profile-insensitive exact expression for the size effect

The ionization energy of a large spherical metal cluster of radius R is I(R)=W+(+c)/R, where W is the bulk work function and c≈-0.1 is a material-dependent quantum correction to the electrostatic size effect. We present 'Koopmans' and 'displaced-profile change-in-self-consistent-field...

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Detalhes bibliográficos
Autor principal: Seidl, Michael F (author)
Outros Autores: Perdew, John P. (author), Brajczewska, Marta (author), Fiolhais, Carlos (author)
Formato: article
Idioma:eng
Publicado em: 1997
Texto completo:http://hdl.handle.net/10316/12352
País:Portugal
Oai:oai:estudogeral.sib.uc.pt:10316/12352