Výsledky vyhledávání - "V G, de Pina"

Quantifying electron-correlation effects in small coinage-metal clustersvia ab initiocalculations

Autor: Guo-Qiang Hai, V. G. de Pina, B. G. A. Brito, Ladir Cândido

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1–4) via ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC) simulations, density functional theory (DFT), and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d45d4da8e0d098d2942ac488cc613344
https://doi.org/10.1039/d0cp06499h

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Quantifying electron-correlation effects in small coinage-metal clusters

Autor: V G, de Pina, B G A, Brito, G-Q, Hai, L, Cândido

Publikováno v: Physical chemistry chemical physics : PCCP. 23(16)

We investigate many-electron correlation effects in neutral and charged coinage-metal clusters Cun, Agn, and Aun (n = 1-4) via ab initio calculations using fixed-node diffusion Monte Carlo (FN-DMC) simulations, density functional theory (DFT), and th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::02daa4f60acc4254aa473cee57b622c5
https://pubmed.ncbi.nlm.nih.gov/33908436

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