A study of electronic charge density of lithium negative ion.

div dir="ltr">Abstract:

The partitioning technique has been used to analyze Li -ve ion for six-pairs electronic wave functions, two of these are for the intra-shells (K-and L-shells) and the rest for inter-shells by using Hartree-Fock wave functions published by Clementi and Roetti. The aim of this research is to study the theoretical properties of Li-ve ion in momentum space. The results of the intra- and inter-shells in the momentum space has been compared with Li-ve ion in position space, and also compared with Be and B+ve ion in momentum space. The properties that studied in this work for the momentum space are: 1 -Radial density distribution for one and two particles D( p ) and D(P , P 2). 2-The inter-electronic distribution function f(p12 ) 3-The partial distribution function g(p2, p ) . 4-Some expectation values and standard deviation ‹Pⁿ›,‹pⁿ,pⁿ2›,‹pⁿ2›,Δp and Δp2, where ( - 2 ≤ n ≥ +2 ). 5 -Correlation coefficients Γ p and Γ 1/p. 6-Compton profile J(q). 7-The energy expectation values ‹E› These parameters are very important in studying the physical and chemical properties of the ions or atoms. And for this purpose a computer program was designed in Mathcad Ver.7 compilers to calculate these parameters.