Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations-Reference-Cited by-同舟云学术

Quantifying electron-correlation effects in small coinage-metal clusters via ab initio calculations

Published:2021 Issue:16 Volume:23 Page:9832-9842
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

de Pina V. G.¹²³⁴,Brito B. G. A.⁵⁶⁷⁸⁴,Hai G.-Q.⁹¹⁰¹¹⁴,Cândido L.¹²³⁴^ORCID

Affiliation:

1. Instituto de Física

2. Universidade Federal de Goiás

3. Goiânia

4. Brazil

5. Instituto de Ciências Exatas

6. Naturais e Educação

7. UFTM

8. Uberaba

9. Instituto de Física de São Carlos

10. Universidade de São Paulo

11. São Carlos

Abstract

Electron correlation strongly affects the orbital occupation and electron pairing of the valence electrons in coinage-metal clusters revealed by their atomic binding energies, ionization potentials, and electron affinities.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Fundação de Amparo à Pesquisa do Estado de Goiás

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06499H

Reference91 articles.

1. Clusters of transition-metal atoms

2. Metal Clusters

3. Nanoassembled model catalysts

4. Molecular plasmonics for biology and nanomedicine

5. T. Kell , R.Holliday and T.Harper , Gold For Good. Gold And Nanotechnology In The Age Of Innovation , World Gold Concil , London , 2010

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