Electron correlation effects in boron clusters BQn (for <i>Q</i> = −1, 0, 1 and <i>n</i> ≤ 13) based on quantum Monte Carlo simulations-Reference-Cited by-同舟云学术

Electron correlation effects in boron clusters BQn (for Q = −1, 0, 1 and n ≤ 13) based on quantum Monte Carlo simulations

Published:2022 Issue:5 Volume:24 Page:3119-3128
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Moreira E. M. Isaac¹,Brito B. G. A.²,Hai G.-Q.³,Cândido L.¹^ORCID

Affiliation:

1. Instituto de Física, Universidade Federal de Goiás, 74001-970, Goiânia, GO, Brazil

2. Departamento de Física, Instituto de Ciências Exatas e Naturais e Educação (ICENE), Universidade Federal do Triângulo Mineiro, 38064-200, Uberaba, MG, Brazil

3. Instituto de Física de São Carlos, Universidade de São Paulo, 13560-970, São Carlos, SP, Brazil

Abstract

We present all-electron quantum Monte Carlo simulations on the anionic, neutral, and cationic boron clusters BQn with up to 13 atoms (Q = −1, 0, +1 and n ≤ 13).

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

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/2022/CP/D1CP04737J

Reference43 articles.

1. Boron Clusters Come of Age