INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
The H4 model revisited within the framework of the G-particle-hole Hypervirial equation
Autor/es:
CARMELA VALDEMORO; DIEGO R. ALCOBA; OFELIA B. OÑA; LUIS M. TEL; ENCARNACIÓN PÉREZ-ROMERO; JOSEP M. OLIVA
Revista:
CHEMICAL PHYSICS
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Lugar: Amsterdam; Año: 2012 vol. 399 p. 59 - 64
ISSN:
0301-0104
Resumen:
In this paper we report the results obtained when calculating the electronic structure of the H4 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.
