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Equation-of-motion coupled-cluster method for the study of shape resonance.
J Chem Phys ; 136(23): 234110, 2012 Jun 21.
Artigo em Inglês | MEDLINE | ID: mdl-22779584
ABSTRACT
The equation-of-motion coupled-cluster method (EOM-CC) is applied for the first time to calculate the energy and width of a shape resonance in an electron-molecule scattering. The procedure is based on inclusion of complex absorbing potential with EOM-CC theory. We have applied this method to investigate the shape resonance in e(-)N(2), e(-)CO, and e(-)C(2)H(2).

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Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: J Chem Phys Ano de publicação: 2012 Tipo de documento: Artigo País de afiliação: Índia