Chaos and localization in the wavefunctions of complex atoms NdI, PmI and SmI

Abstract

Wavefunctions of complex lanthanide atoms NdI, PmI and SmI, obtained via multi-configuration Dirac-Fock method, are analyzed for density of states in terms of partial densities, strength functions ($F_k(E)$), number of principal components ($ξ_2(E)$) and occupancies ($\lan n_α\ran^E$) of single particle orbits using embedded Gaussian orthogonal ensemble of one plus two-body random matrix ensembles [EGOE(1+2)]. It is seen that density of states are in general multi-modal, $F_k(E)$'s exhibit variations as function of the basis states energy and $ξ_2(E)$'s show structures arising from localized states. The sources of these departures from EGOE(1+2) are investigated by examining the partial densities, correlations between $F_k(E)$, $ξ_2(E)$ and $\lan n_α\ran^E$ and also by studying the structure of the Hamiltonian matrices. These studies point out the operation of EGOE(1+2) but at the same time suggest that weak admixing between well separated configurations should be incorporated into EGOE(1+2) for more quantitative description of chaos and localization in NdI, PmI and SmI.