INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
Drawing information from the ground state G-particle-hole matrix to study electronic excited states
Autor/es:
DIEGO R. ALCOBA; OFELIA B. OÑA; CARMELA VALDEMORO; L. M. TEL; GUSTAVO E. MASSACCESI
Revista:
JOURNAL OF MATHEMATICAL CHEMISTRY
Editorial:
SPRINGER
Referencias:
Lugar: Berlin; Año: 2012 vol. 50 p. 2478 - 2491
ISSN:
0259-9791
Resumen:
Very recently, we have shown the suitability to combine the G-particle hole Hypervirial (GHV) equation method (Alcoba et al. in Int J Quantum Chem 109:3178, 2009) with the Hermitian Operator (HO) method (Bouten et al. in Nucl Phys A 202:127, 1973) for computing various energy differences of an electronic system spectrum (Valdemoro et al. in J Math Chem 50:492, 2012). The purpose of this paper is to extend our preliminary studies by applying the combined GHV-HO method to obtain the set of ground and low-lying excited states potential energy curves.
