Bound Electron Potential Model Research Articles

Transition probabilities and radiative lifetimes of levels in F I

The electric dipole transition probabilities and the lifetimes of excited levels have been calculated using the weakest bound electron potential model theory (WBEPMT) and the quantum defect orbital theory (QDOT) in atomic fluorine. In the calculations, many of transition arrays included both multiplet and fine-structure transitions are considered. We employed Numerical Coulomb Approximation (NCA) wave functions and numerical non-relativistic Hartree–Fock (NRHF) wave functions for expectation values of radii in determination of parameters. The necessary energy values have been taken from experimental energy data in the literature. The calculated transition probabilities and lifetimes have been compared with available theoretical and experimental results. A good agreement with results in literature has been obtained. Moreover, some transition probability and the lifetime values not existing in the literature for some highly excited levels have been obtained using these methods.

Multipolar polarizabilities and two-body dispersion coefficients for Na by a variationally stable procedure

Based on the weakest bound electron potential model theory, the ground-state wave function of Na is investigated. The variationally stable procedure of Gao and Starace is then employed to evaluate the static multipolar polarizabilities of Na, and the two-body dispersion coefficients for the Na-Na system. Calculated values show that our results are in general agreement with those previously reported in the literature.

Oscillator strengths of allowed transitions for O III

The electric dipole oscillator strengths for lines in O III between some singlet and triplet levels have been calculated using the weakest bound electron potential model theory and the quantum defect orbital theory. In the calculations, both multiplet and fine-structure transitions are studied. The calculated oscillator strengths have been compared with available theoretical and experimental results. Good agreement with results in the literature has been obtained.

Transition probabilities, oscillator strengths and lifetimes for singly ionized magnesium

The electric dipole transition probabilities, oscillator strengths and lifetimes have been calculated using the weakest bound electron potential model theory (WBEPMT) for singly ionized magnesium. In the calculations both multiplet and fine structure transitions are studied. We have employed both the numerical Coulomb approximation (NCA) method and numerical non-relativistic Hartree–Fock (NRHF) wave functions for expectation values of radii. The calculated oscillator strengths and lifetimes have been compared with MCHF results given by Fischer et al. (2006). A good agreement has been obtained with the MCHF results. Moreover, some new transition probabilities, oscillator strengths and lifetime values, not existing in the data bases for highly excited levels in singly ionized magnesium, have been obtained using this method.

Calculation of the Rydberg Energy Levels for Francium Atom

Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of nsS21/2(n=8--50), ndD23/2(n=6--50), and ndD25/2(n=6--50) spectrum series for francium atom are calculated. The calculated results are in excellent agreement with the 74 known experimentally measured levels (the absolute difference is less than 0.03 cm-1) and 58 energy levels for highly excited states are predicted.

Calculation of Rydberg energy levels for the francium atom

Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of the np2Po1/2 (n = 7–50) and np2Po3/2 (n = 7–50) spectrum series for the francium atom are calculated. The calculated results are in excellent agreement with the 48 measured levels, and 40 energy levels for highly excited states are predicted.

Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure eects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

Oscillator Strengths for Allowed Transitions in Li(II)

Electric dipole oscillator strengths have been computed for transitions between both multiplet and individual lines in the Li(II) ion. The weakest bound electron potential model theory has been used. We have employed both numerical Coulomb approximation wave functions and numerical non-relativistic Hartree‐Fock wave functions in the determination of expectation values of radii. The necessary energy values have been taken from experimental ionization energies. The oscillator strengths calculated with parameters obtained by using the two dierent wave functions have been compared not only to each other but also to other data taken from literature. A good agreement with results in literature has been obtained.

Oscillator strengths for singly ionized oxygen

The electric dipole oscillator strengths for multiplet and individual lines between some doublet and quartet levels have been calculated using the weakest bound electron potential model theory (WBEPMT) in singly ionized oxygen. We employed both numerical Coulomb approximation (NCA) wave functions and numerical non-relativistic Hartree-Fock (NRHF) wave functions for expectation values of radii in determination of parameters. The calculated oscillator strengths have been compared with available theoretical and experimental results. A good agreement with results in literature has been obtained. Moreover, oscillator strengths not existing in the literature for some highly excited levels have been obtained using this method.

Theoretical Calculations of Transition Probabilities and Oscillator Strengths for Sc(III) and Y(III)

The Weakest Bound Electron Potential Model theory is used to calculate transition probability-values and oscillator strength-values for individual lines of Sc(III) and Y(III). In this method, by solving the Schrodinger equation of the weakest bound electron, the expressions of energy eigenvalue and the radial function can be obtained. And a coupled equation is used to determine the parameters which are needed in the calculations. The obtained results of Sc(III) from this work agree very well with the accepted values taken from the National Institute of Standards and Technoligy (NIST) data base, most deviations are within the accepted level. For Y(III) there are no accepted values reported by the NIST data base. So we compared our results of Y(III) with other theoretical results, good agreement is also obtained.

Radiative Lifetimes of Rydberg States in Neutral Gallium

Radiative lifetimes were calculated using weakest bound electron potential model theory for 4s ns S1/2 (n ≥ 7), 4s np P 0 1/2 (n ≥ 5), 4s np P 0 3/2 (n ≥ 6), 4s nd D 3/2 (n ≥ 6), 4s nd D 5/2 (n ≥ 6) series in neutral gallium. The use of the quantum defect theory and Martin’s expressions allowed us to supply lifetime values along by means of the series above. The results obtained in this work presented good agreement with theoretical and experimental values. Moreover, some lifetime values not existing in the literature for highly excited Rydberg states in gallium atom were obtained using this method.

Calculation of He Atom Ground-State Energy Using Double Generalized Laguerre Polynomial in the Weakest Bound Electron Potential Model Theory

We calculated the He atom ground-state energy using a double generalized Laguerre polynomial in the weakest bound electron potential model(WBEPM) theory. An expression for the expectation value of the He atom ground-state energy was derived. We obtained minimum values for the He atom ground-state energy(Emin) . A comparison was made to the results from the Hartree-Fock(HF) method using a double zeta function. Our result was slightly better than the result obtained using a double zeta function in the HF method. We thus show that the linear combination technique can easily be used in WBEPM theory.

Energy Levels of the 6p_{3/2}ns, nd, ng Autoionizing Series of Pb I

Based on the weakest bound electron potential model (WBEPM) theory, six energy levels of the autoionizing Rydberg series 6pns 3/2[3/2]_1 (n = 15-25), 6pns 3/2[3/2]_2 (n = 15-25), 6pnd 3/2[3/2]_1 (n = 13-25), 6pnd 3/2[5/2]_3 (n = 13-25), 6pnd 3/2[7/2]_3 (n = 14-25) and 6png 3/2[5/2]_2 (n = 5-25) of Pb I are calculated. Foreign level perturbation corrections are taken into account in calculations of four series among them. The theoretical calculated results are in good agreement with the known experimental data, and some energies without experimental values are predicted.

Investigation of the effects of expectation values for radii on the determination of transition probabilities using WBEPM theory

Transition probabilities for some excited s-p and p-s transition arrays of neutral nitrogen have been calculated using the weakest bound electron potential model theory (WBEPMT) for the investigation of effects of expectation values of radii.We have used both numerical non-relativistic Hartree-Fock (NRHF) wave functions and numerical Coulomb approximation (NCA) wave functions to calculate expectation values of radii. The transition probability results obtained using the parameters determined with two different wave functions agree well with each other and accepted values taken from NIST for low values of transition probability. However, the NRHF wave functions present better results for p-s transitions, while NCA wave functions are better in s-p transitions for large values of transition probability.

Theoretical calculations of transition probabilities and oscillator strengths for Ti III and Ti IV

AbstractDue to the complicated electronic configuration of atoms and ions of the transition metal elements, the studies for properties such as transition probabilities and oscillator strengths for these atoms and ions are not systematic. Because of the existence in a variety of stellar objects and wide use in the field of astrophysics, titanium has long been of interest for many researchers. In this article within the Weakest Bound Electron Potential Model (WBEPM) theory, comprehensive set of calculations for transition probabilities and oscillator strengths for Ti III and Ti IV are performed. Many of our results had no previous experimental or theoretical values, so these predictive results could be of some value to the workers in this field. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

Calculations of Transition Probabilities for Some Excited Levels of Na I

Transition probabilities are calculated for individual and multiplet lines between some excited states in neutral sodium by using the weakest bound electron potential model theory. In the determination of parameters required for calculation of transition probabilities, we employed numerical non-relativistic Hartree–Fock wave functions for expectation values of radii in all levels. The necessary energy values were taken from experimental energy data in the literature. The obtained results were compared with accepted values taken from National Institute of Standards and Technology data and multi-configurational Hartree–Fock results given by Fischer. A good agreement was observed in related excited states.

Theoretical calculations of transition probabilities for individual and multiplet lines between some excited levels of atomic potassium

The transition probabilities for individual and multiplet lines between some excited levels of atomic potassium are calculated using weakest bound electron potential model theory (WBEPMT). The numerical nonrelativistic Hartree–Fock wave functions for the expectation values of radii in all excited states, unlike the Numerical Coulomb Approximation method traditionally used for WBEPMT and experimental ionization energies, have been employed to determine the parameters. The results obtained during this work agree very well with the accepted values taken from National Institute Standards and Technology. Moreover, some transition probabilities not existing on the data bases for highly excited levels in atomic potassium have been obtained using this method. PACS No.: 32.70.Cs

铊原子能级与辐射寿命的理论计算

Considering the perturbation, the results of theoretical calculation of five Rydberg series energy levels 6s^2ns^2S_1/2(n=7-20),6s^2nd^2D_3/2(n=6-20),6s^2nd^2D_5/2(n=6-20),6s^2np^2P^(0)_(1/2)(n=7-20), and 6s^2np^2P^(0)_(3/2)(n=7-20) for Tl I are presented using the weakest bound electron potential model (WBEPM) theory. Furthermore, the radiative lifetimes of this five series are also calculated. The calculated values of energy levels and lifetimes are in good agreement with the experimental results.

Determination of Excited-State Ionization Potentials for Lithium-Like Sequence Using Weakest Bound Electron Potential Model Theory

tentials for 1s 2 2p 2 P1=2, 1s 2 3s 2 S1=2, 1s 2 3d 2 D1=2, 1s 2 4s 2 S1=2, 1s 2 4p 2 P1=2, and 1s 2 4d 2 D1=2 iso-spectrum series of lithium-like elements were carried out using a weakest bound electron potential model theory for nuclear charges from Z = 3 to Z = 18. The Breit{Pauli approximation was used for relativistic contributions. The obtained values are compared with the experimental results from literature. The overall agreement between data obtained in this work and experimental data from literature can appear to be quite good being generally within 0.1% of experimental values.

The calculation of transition probabilities for atomic oxygen

The atomic transition probabilities for multiplet and individual lines and oscillator strengths for multiplet lines between some triplet and quintet levels have been calculated using weakest bound electron potential model theory (WBEPMT) in neutral oxygen. The results obtained in this work are in good agreement with the data obtained from different theoretical methods given in the literature and with critically evaluated values taken from NIST. Moreover, some new transition probabilities and oscillator strengths for highly excited levels in atomic oxygen have been obtained using this method.