Screening constant by unit nuclear charge calculations for (n s2)1Se, (np2)1De and (N s n p)1P○ excited states of He-like systems

Sakho, I.; Ndao, A. S.; Biaye, M.; Wagué, A.

doi:10.1140/epjd/e2008-00018-2

Cited by 15 publications

(30 citation statements)

References 44 publications

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“…In this section, we apply the screening constant by unit nuclear charge formalism (SCUNC) to calculate the energy resonances of the helium-isoelectronic sequence converging to the n = 2 ∼ 4 hydrogenic thresholds. In the framework of the SCUNC -method, total energy of (N l,nl ′ ) 2S+1 L π excited states is expressed in the form (in Ryd) [16,17]…”

Section: Adequacy Of Special Incomplete Hydrogenic Wave Functions Formentioning

confidence: 99%

“…For autoionizing states in the helium isoelectronic series, many computational methods are employed. Among these methods are, the computing double sum method over the complete hydrogen spectrum [8], the complex-coordinate rotation [9][10][11][12], the density functional theory [24], the Feshbach-projection method [14], the screening constant by unit nuclear charge (SCUNC) method [15][16][17] (to name a few). Special type of trial wave functions combining Hylleraas and incomplete hydrogenic wave functions have also been used in the computations of energies for doubly excited states of two electron systems [18][19][20][21].…”

Section: Introductionmentioning

confidence: 99%

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Energy Resonances for $^1P^o,$ $^1D^e,$ $^1F^o,$ $^1G^e,$ and $^1H^o$ Autoionizing States of the Helium Isoelectronic Series Below the $n=2-4$ Hydrogenic Thresholds

Sakho¹

2011

JAMS

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General formalism of special form of Hylleraas correlated wave functions (SFHCWF) is demonstrated in this paper. The adequacy of the SFHCWF in the description as well as of the singlet than of the triplet excited states of two electron systems is also presented in this work. Application of SFHCWF to the calculations of doubly excited nl nl ′ states (n = 2-4) in the helium-like ions is done, using the screening constant by unit nuclear charge method in the framework of a variational procedure. Comparison with various available theoretical and experimental literature values indicates a good agreement.

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Section: Adequacy Of Special Incomplete Hydrogenic Wave Functions Formentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Energy Resonances for $^1P^o,$ $^1D^e,$ $^1F^o,$ $^1G^e,$ and $^1H^o$ Autoionizing States of the Helium Isoelectronic Series Below the $n=2-4$ Hydrogenic Thresholds

Sakho¹

2011

JAMS

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“…21 For the He-like atomic nitrogen ion, no experimental data are available, but it has been studied by various theoretical methods and models due to its simplicity and importance. [22][23][24][25][26][27][28][29][30][31][32][33] It should be pointed out that one of the most accurate methods has been developed recently by Derevianko et al 34 to treat the atomic resonance atomic states, namely, the CI + MBPT + CRM approach, in which they combined the relativistic configuration-interaction (CI) method, the many-body perturbation theory (MBPT) method, and the CRM. The newly developed CI + MBPT + CRM approach has been applied to compute the dielectronic recombination spectrum for Li-like carbon and the highprecision results have been obtained.…”

Section: Introductionmentioning

confidence: 99%

Complex multireference configuration interaction calculations for the K-vacancy Auger states of N q+ (q = 2-5) ions

Peng

Zhu

et al. 2016

The Journal of Chemical Physics

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Ab initio multireference configuration-interaction theoretical study on the low-lying spin states in binuclear transition-metal complex: Magnetic exchange of [ ( NH 3 ) K-vacancy Auger states of N q+ (q = 2-5) ions are studied by using the complex multireference single-and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available experimental and theoretical data. It shows that the resonance positions and widths converge quickly with the increase of the atomic basis sets in the CMRD-CI calculations; the standard atomic basis set can be employed to describe the atomic K-vacancy Auger states well. The strong correlations between the valence and core electrons play important roles in accurately determining those resonance parameters, Rydberg electrons contribute negligibly in the calculations. Note that it is the first time that the complex scaling method has been successfully applied for the B-like nitrogen. CMRD-CI is readily extended to treat the resonance states of molecules in the near future. C 2016 AIP Publishing LLC. [http://dx

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“…Sakho I., Ndao A S, Biaye M and Wague A [8], combined perturbation theory and the Ritz variation method, to obtain an analytic method called the screening constant by unit nuclear charge (SCUNC), to calculate of the ground-state energy, the first ionization energy and the radial correlation expectation value for the ground state of Helium like atoms. The SCUNC method has been extended in the calculation of the total energies, the total electron-electron interaction energies and the excitation energy for the doubly exited state of the Helium-like systems [9].…”

Section: Introductionmentioning

confidence: 99%

First Order Expectation Values of Electron Correlation Operators for Two-Electron Atoms

Ndinya¹

2015

AJMP

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Simple analytic first-order wave functions corresponding to two-electron atoms electron correlation operators are obtained by reduction of the Rayleigh-Schrödinger first order perturbation equation to that of one-electron through the partial integration over the variables of one electron. The resulting first order wave functions are applied to evaluate the first order expectation values of electron correlation operators associated with the radial correlation, magnetic shielding and diamagnetic susceptibility. The results obtained have close agreement with other theoretical results.

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Screening constant by unit nuclear charge calculations for (n s2)1Se, (np2)1De and (N s n p)1P○ excited states of He-like systems

Cited by 15 publications

References 44 publications

Energy Resonances for $^1P^o,$ $^1D^e,$ $^1F^o,$ $^1G^e,$ and $^1H^o$ Autoionizing States of the Helium Isoelectronic Series Below the $n=2-4$ Hydrogenic Thresholds

Energy Resonances for $^1P^o,$ $^1D^e,$ $^1F^o,$ $^1G^e,$ and $^1H^o$ Autoionizing States of the Helium Isoelectronic Series Below the $n=2-4$ Hydrogenic Thresholds

Complex multireference configuration interaction calculations for the K-vacancy Auger states of N q+ (q = 2-5) ions

First Order Expectation Values of Electron Correlation Operators for Two-Electron Atoms

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