https://doi.org/10.1140/epjd/e2006-00137-8
Correlated wave functions to approach the bound excited states of Li- and Be-
1
Departamento de Física Moderna, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain
2
Departamento de Física, Campus de Rabanales, Edificio C2 Universidad de Córdoba, 14071 Córdoba, Spain
Corresponding author: a fa1sarua@uco.es
Received:
8
March
2006
Revised:
17
April
2006
Published online:
15
June
2006
Explicitly correlated wave functions including a Jastrow factor to take into account the dynamical correlation effects, and a multi determinant model wave function to account for the non–dynamical correlations are used to study some metastable excited states of the negative ions Li- and Be-. A detailed analysis of one– and two–body properties has been carried out for these states. In particular the single–particle density as well as both the two–body inter electronic and center of mass densities have been obtained. All the calculations have been performed by using the variational Monte Carlo method.
PACS: 31.10.+z – Theory of electronic structure, electronic transitions, and chemical binding / 31.25.-v – Electron correlation calculations for atoms and molecules / 31.25.Jf – Electron correlation calculations for atoms and ions: excited states / 02.70.Ss – Quantum Monte Carlo methods
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2006
