Article In: orcid

Variational spherical model of small metallic particles

Surface Science

José Luís Rodrigues Júlio Martins; Roberto Car; Jean Buttet — 1981 — Elsevier

Key information

Authors:

José Luís Rodrigues Júlio Martins (José Luís Rodrigues Júlio Martins); Roberto Car; Jean Buttet

Published in

May 1, 1981

Abstract

We study the structural and electronic properties of simple metal clusters with a model based on the density functional formalism. Our model takes into account electron relaxation effects and the lattice structure through the introduction of pseudopotentials. Results for the ionization potential and electron affinity, binding and surface energies and lattice relaxation are presented for bcc and icosahedral Na clusters having up to 350 atoms.

Publication details

Authors in the community:

Publisher

Elsevier

Link to the publisher's version

https://www.sciencedirect.com/science/article/abs/pii/0039602881902107

Title of the publication container

Surface Science

First page or article number

265

Last page

271

Volume

106

Issue

1-3

DOI

10.1016/0039-6028(81)90210-7

Fields of Science and Technology (FOS)

physical-sciences - Physical sciences

Publication language (ISO code)

eng - English

Rights type:

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