Artículos de revistas
The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation
Fecha
2012-05Registro en:
Valdemoro, Carmela; Alcoba, Diego Ricardo; Oña, Ofelia Beatriz; Tel, Luis M.; Pérez-Romero, Encarnación; et al.; The H 4 model revisited within the framework of the G-particle-hole Hypervirial equation; Elsevier Science; Chemical Physics; 399; 5-2012; 59-64
0301-0104
CONICET Digital
CONICET
Autor
Valdemoro, Carmela
Alcoba, Diego Ricardo
Oña, Ofelia Beatriz
Tel, Luis M.
Pérez-Romero, Encarnación
Oliva, Josep M.
Resumen
In this paper we report the results obtained when calculating the electronic structure of the H 4 molecular system within the framework of the G-particle-hole Hypervirial equation (GHV). This method determines directly the G-particle-hole matrix of the state considered without a previous knowledge of the wave-function. Our primary aim is to compare the GHV performance with that of other standard ab initio methods having as ultimate reference the FCI results, when the system considered is strongly correlated. © 2011 Elsevier B.V. All rights reserved.