The energy expectation values for Li and Li-like ions ( , and ) have been calculated and examined within the ground state and the excited state in position space. The partitioning technique of Hartree-Fock (H-F) has been used for existing wave functions.
The purpose of the present work is to calculate the expectation value of potential energy for different spin states (??? ? ???,??? ? ???) and compared it with spin states (??? , ??? ) for lithium excited state (1s2s3s) and Li- like ions (Be+,B+2) using Hartree-Fock wave function by partitioning techanique .The result of inter particle expectation value shows linear behaviour with atomic number and for each atom and ion the shows the trend ??? < ??? < ??? < ???
The electron correlation for inter-shells (1s 2p), (1s 3p) and (1s 3d) was described by the inter-particle radial distribution function f(r12). It was evaluated for Li-atom in the different excited states (1s2 2p), (1s2 3p) and (1s2 3d) using Hartree-Fock approximation (HF). The inter particle expectation values for these shells were also evaluated. The calculations were performed using Mathcad 14 program.
The aim of this work is to study the correlation between the electrons for Li atom in ground state through the calculation of the inter-particle distribution function f (r12) and inter-particle expectation values . By using the f(r12) function for KL shell in both singlet and triplet state .The Fermi hole have been evaluated .In this work the Hartree-Fock wave function (1993) have been used.
The aim of this work is study the partical distribution function g(r12,r1) for Carbon ion cases (C+2,C+3,C+4) in the position space using Hartree-Fock's Wave function, and the partitioning technique for each shell which is represented by Carbon Ions [C+2 (1s22s2)], [C+3 (1s22s)] and [C+4 (1s2)]. A comparision has been made among the three Carbon ions for each shell. A computer programs (MATHCAD ver. 2001i) has been used texcute the results.
The division partitioning technique has been used to analyze the four electron systems into six-pairs electronic wave functions for ( for the Beryllium atom in its excited state (1s2 2s 3s ) and like ions ( B+1 ,C+2 ) using Hartree-Fock wave functions . The aim of this work is to study atomic scattering form factor f(s) for and nuclear magnetic shielding constant. The results are obtained numerically by using the computer software (Mathcad).
Radial density distribution function of one particle D(r1) was calculated for main orbital of carbon atom and carbon like ions (N+ and B- ) by using the Partitioning technique .The results presented for K and L shells for the Carbon atom and negative ion of Boron and positive ion for nitrogen ion . We observed that as atomic number increases the probability of existence of electrons near the nucleus increases and the maximum of the location r1 decreases. In this research the Hartree-fock wavefunctions have been computed using Mathcad computer software .
A theoretical calculation of the reorientation energy for non adiabatic electron transfer at
interface between metal and semiconductor system was carried out. The continuum outer
sphere theory of electron transfer reaction has been extensively used for electron transfer
between metal/semiconductor interface .It is found that in these calculations the reorientation
energy is proportional to the optical and statistical dielectric constant of semiconductor ,
properties of metal ,and the distance between metal and semiconductor .Results of
reorientation energy show that ZnO semiconductor with metal Au possess a good matching as
compared with ZnS and ZnSe . Theoretical calculation showed a good agreement with
ex
Venus orbit around the Sun is an ellipse inside the Earth orbit. The elements of Venus orbit and its position are affected by the gravitational force of near planets therefore the elements were determined with Julian date through ten years 2011-2020. The orbital elements used to calculate Venus distance from the Sun, the heliocentric and geocentric equatorial coordinates. From the results the orbit of Venus and its position were described and show the gravity effect of near planets on it. The results get the values and their variation through ten years for the eccentricity, semi-major axis, inclination, longitude of ascending node, argument of perihelion, mean anomaly and distance from the Sun. The variation is very small through 10 year
... Show MoreThe radial wave function R(r) and the radial distribution function P(r) as a function of (r), for the Hydrogen atom was calculated for several atomic state (1s,2s,2p,3s,3p,3d) The results were compared with Hydrogen like atom(He+,Li+2,Be+3).
This research presents results on the full energy peak efficiency of a high purity germanium (HPGe) detector from point source as a function of photon energy and source-detector distance. The directions of photons emitted from the source and the photon path lengths in the detector were determined by Monte Carlo technique. A major advantage of this technique is the short computation time compared to the experiments. Another advantage is the flexibility for inputting detector-related parameters (such as source–detector distance, detector radius, length and attenuation coefficient) into the algorithm developed, thus making it an easy and flexible method to apply to other detector systems and configurations. It has been designed and writte
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