Combining the G-particle-hole Hyperivirial equation and the Hermitian Operator method to study electronic excitations and de-excitations

C. VALDEMORO; D.R. ALCOBA; O.B. OÑA; L.M. TEL; E. PEREZ-ROMERO

La Coruña

Workshop; Workshop on strongly correlated systems, cooperativity, and valence-bond theory; 2011

Universidade de A Coruña

The 2-order G-particle-hole hypervirial (GHV) is the most recent member of the family od 2-order Contracted equations. In the GHV method one does not look for an N-electron function but for a 2-order G-particle-hole matrix which is a 2-electron quantum average of the Electronic Correlation of the N-electron state considered. An overview of the contracted eqautions theory leading to the GHV is given in the first part of this talk. The suitability of combining the GHV method with the Hermitian Operator (HO) method for obtaining various energy differences of a system spectrum is then shown. This theoretical part os complemented with the results obtained in a series of calculations. The present status and lines of future development are discussed. 1.- H. Nakatsuji, Phys. Rev. A 14 (1976) 41. L. Cohen and C. Frishberg, Phys. Rev. A 13 (1976) 927. 2.- C. Valdemoro, Phys. Rev. A 31 (1985) 2123. 3.- M. Bouten, P. Van Leuven, M.V. Mihailovic and M. Rosina, Nucl. Phys. A 202 (1973) 127, 221 (1974) 173. 4.- C. Valdemoro, D.R. Alcoba, O.B. Oña, L.M. Tel and E. Pérez-Romero, J. Math. Chem. xxx (2011) xxxx (DOI: 10.1007/s10910-011-9810-y).