Numerical Non-relativistic Hartree Fock Research Articles

Electric quadrupole transition probabilities for atomic lithium

Electric quadrupole transition probabilities for atomic lithium have been calculated using the weakest bound electron potential model theory (WBEPMT). We have employed numerical non-relativistic Hartree–Fock wavefunctions for expectation values of radii and the necessary energy values have been taken from the compilation at NIST. The results obtained with the present method agree very well with the Coulomb approximation results given by Caves (1975). Moreover, electric quadrupole transition probability values not existing in the literature for some highly excited levels have been obtained using the WBEPMT.

Lifetimes for singly ionized nitrogen

The lifetimes of some excited levels for singly ionized nitrogen are calculated by using the weakest bound electron potential model theory and quantum defect orbital theory. We determined expectation values of radii using numerical nonrelativistic Hartree–Fock wave functions. The necessary energy values have been taken from NIST. The present results have been compared with previous calculations and experiments. Most of the lifetime results are presented for the first time in the present work. For N II, because there are few lifetime results available in the literature, the present study compared to existing investigations, provides detailed results for the lifetimes of several of the excited 2s22pns, 2s22pnp, and 2s22pd → 2s22p2 where, n = 3–6 for the ns series, n = 3–5 for the nd series and n = 3–4 for the np series.

Transition probabilities, oscillator strengths and radiative lifetimes for Zn II

The electric dipole transition probabilities, the oscillator strengths 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) for singly ionized Zinc. In the calculations, the many of transition arrays including both multiplet and fine-structure transitions are considered. We have 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 present results are consistent with the available theoretical and experimental results. Some of these results are reported for the first time.

Electric dipole radiative lifetimes for neutral boron atom

We have determined the radiative lifetimes of excited states in atomic boron using weakest bound electron potential model theory. For determining relevant parameters needed for calculation of lifetimes, we have employed numerical non-relativistic Hartree–Fock wave functions for expectation values of radius. The necessary energy values have been taken from experimental energy data from National Institute of Standards and Technology. The calculated lifetimes have been compared with available results.

Lifetimes of excited levels for atomic silicon

The lifetimes of some excited levels for atomic silicon are calculated using the weakest bound electron potential model theory (WBEPMT) and the quantum defect orbital theory. In the WBEPMT framework, we have employed both numerical Coulomb Approximation wave functions and numerical non-relativistic Hartree–Fock wave functions for expectation values of radii. The obtained lifetime results have been compared with theoretical and experimental data in the literature.

Oscillator strengths for Be I

The electric dipole oscillator strengths for lines between some singlet and triplet levels have been calculated using the weakest bound electron potential model theory and the quantum defect orbital theory for Be I. In the calculations both multiplet and fine structure transitions are studied. We employed both the numerical Coulomb approximation method and numerical non-relativistic Hartree–Fock wavefunctions for expectation values of radii. The necessary energy values have been taken from experimental energy data in the literature. The calculated oscillator strengths have been compared with available theoretical results. A good agreement with the results in the literature has been obtained.

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.

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.

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.

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.

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

Comparison of transition probabilities calculated using different parameters on WBEPM theory for some p‐d and d‐p transitions in excited atomic nitrogen

AbstractThe transition probabilities between individual and multiplet lines for some quartet terms of excited p‐d and d‐p transition arrays of nitrogen atom have been calculated using the weakest bound electron potential model (WBEPM) theory. For determination relevant parameters, we employed both numerical Coulomb approximation (NCA) method and numerical nonrelativistic Hartree–Fock (NRHF) wave functions for expectation values of radii. The necessary energy values have been taken from experimental energy data in the literature. The expectation values of radii obtained using the two different methods have been employed in the calculation of transition probabilities of all transition arrays. The results obtained have been compared with either each other or NIST data. Good agreement with accepted values taken from NIST has been observed for related excited transitions. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007