Accurate nonrelativistic energies for2Po states of the Li isoelectronic series

Abstract

Ž .With large Hylleraas᎐configuration interaction CI basis sets highly accurate upper bounds for the lowest 2 P o states of the Li isoelectronic series up to Ne are given. The corresponding Hamiltonian H and the operator Ý ٌٌ are transformed into i-j i j nonorthogonal coordinates expressed in interparticle and angular terms. The evaluation of the occurring integrals is reduced to the calculation of well-known auxiliary integrals. Furthermore some expectation values and isotope energies are calculated. The isotope energies are obtained using perturbation theory in first-order approximation.

Relativistic recoil, electron-correlation, and QED effects on the2pj-2stransition energies in Li-like ions

“…As one can see, in the case of Li our values agree well with the previous theoretical predictions [35,[39][40][41][42][43][44] as well as with the experimental data [45,46].…”

Non-relativistic variational calculations of atomic properties in Li-like ions: LiIto OVI

“…Specific mass shift expectation values for the ns 2 S series of Li I are also evaluated by Lüchow and Kleindienst [60,61], who propose an efficient procedure for reducing the dimension of large basis sets in Hylleraas-CI calculations. Similar large Hylleraas-configuration-interaction basis sets have been used for the np 2 P o series along the isoelectronic series [62].…”

Upper‐ and lower‐bound Hylleraas–CI calculations for the nonrelativistic Po states of the 4He isotope

“…2 . We can show that a combination of finite nuclear mass variational and first-order perturbation calculations yields sufficient accuracy for small corrections of the 4 He nuclear mass.…”

“…the finite mass, relativistic, and QED corrections have to be included. Usually, the finite mass corrections are to be taken into account with perturw x bation theory 1,2 , which leads to the finite mass In this article, we performed a variational calculation with finite nuclear mass for 4 He. Our variational values are in good accordance to Drake's Ž .…”

“…w x results calculated with Eq. 11.6 3 , i.e., ² < < : with ⑀ s y ⌿ ٌ ٌ ⌿ and ⑀ obtained by 1 0 D 1 D 2 0 2 calculating the variational eigenvalue of 4 He and Ž . adequate fitting using Eq.…”