Affiliation:
1. Universidade de Caxias do Sul, 95070-560 Caxias do Sul, RS, Brazil
Abstract
The relative stability between the crystal structure of α-F2, space groupC2/c, and a hypothesized high-pressure phase, space groupCmce, was explored using Density Functional Theory and further assessed by Quantum Monte Carlo calculations.
Funder
Fundação de Amparo à Pesquisa do Estado do Rio Grande do Sul
Conselho Nacional de Desenvolvimento Científico e Tecnológico
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
1 articles.
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