Curvas de Potencial para os Estados Sigma do Dímero de Neônio
DOI:
https://doi.org/10.5902/2179460X9697Abstract
Recentemente, os sistemas fracamente ligados, conhecidos comosistemas van der Waals, têm atraído novos interesses. Eles estão presentesem plasmas de alta pressão, transição por interação coulômbica (ICD) elasers. O conhecimento de boas curvas de potencial para estes sistemas éimportante para estudos e aplicações destes fenômenos. Este estudo realizacálculos ab initio do tipo Hartree-Fock Restrito (RHF) e Multi-configurações em Campo Auto-consistente (MCSCF) com correções de segundaordem pela Teoria das Perturbações, para obter as curvas de potencialpara o estado fundamental å+g1 e os estados excitados å+u1 , å+g3 eå+u3 do dímero de neônio, resultantes da combinação de átomos de Nenos estados 1S, 1P e 3P. A energia de ligação, a distância de equilíbrio ediversas outras constantes espectroscópicas foram determinadas com boaconcordância com outros resultados teóricos e experimentais.Palavras-chave: dímero de neônio, estados sigma, curvas de potencial.Downloads
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