Theoretical autoionisation rates of the 1s2p22D and 1s2s2p2P0states of Li

Nicolaides, Cleanthes A.; Aspromallis, G.

doi:10.1088/0022-3700/16/9/001

Cited by 34 publications

(9 citation statements)

References 13 publications

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“…The results due to Nicolaides and co-workers , Nicolaides and Aspromallis 1983, Aspromallis and Nicolaides 1984 appear to be of somewhat varying quality. Often the agreement with experiment and other theories is very good but for the 1s2s 2 2 S e term there is a large difference with other newer theories.…”

Section: Autoionization Widthsmentioning

confidence: 94%

“…We have confirmed the results of Davis and Chung (1984a) and thereby strengthened their conclusion that a good account of the correlation in the resonance state is necessary for obtaining an accurate value of the decay rate. We do not therefore include the earlier results except for the work of Bhatia (1978) as well as the calculations due to Nicolaides and co-workers , Nicolaides and Aspromallis 1983, Aspromallis and Nicolaides 1984) that include a larger amount of correlation than other early calculations. For Li there is agreement with the observed values reported by Ziem et al (1975) which unfortunately have rather large error limits.…”

Section: Autoionization Widthsmentioning

confidence: 99%

“…lLiu et al (1999), SP method including relativistic corrections. Energies extracted from table 1. mNicolaides and Aspromallis (1983), non-relativistic MCHF + correlation approach. n…”

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confidence: 99%

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Energies and autoionization widths in the lithium iso-electronic sequence

Verbockhaven¹,

Hansen²

2001

J. Phys. B: At. Mol. Opt. Phys.

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Energies and autoionization widths are presented for autoionizing states in Li I, Be II and B III lying between the 1s 2 and the 1s2s 3 S ionization limits. A configuration interaction expansion combined with a B-spline basis set has been used to compute the properties of the lowest 2 S e , 2 P o and 2 D e states which are, in the LS approximation, the only terms allowed to autoionize. The comparison with theoretical and experimental data shows the high accuracy of the present approach applied to singly core-excited states. The error on the energies is found, in the case of Li I, to be well below 10 meV in general, while for Be II and B III, for which much less is known, the present results point to the need for more accurate measurements. Several new identifications have been made and some identifications revised in the experimental data. For autoionization widths, the comparison with experimental and theoretical data shows that the monoconfigurational HF description of the 1s 2 limit employed here provides a good approximation although, for Li I, some of the differences with experimental measurements can be related to the lack of correlation in the wavefunction used to describe the limit.

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Section: Autoionization Widthsmentioning

confidence: 94%

Section: Autoionization Widthsmentioning

confidence: 99%

See 1 more Smart Citation

Energies and autoionization widths in the lithium iso-electronic sequence

Verbockhaven¹,

Hansen²

2001

J. Phys. B: At. Mol. Opt. Phys.

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“…We have also tried to make the energies in Table II small 27.82 (107) satisfies the criterion mentioned before). A large energy improvement in the restricted variation calculation is an indication of the degree of difficulty in reaching saturation.…”

Section: Theorymentioning

confidence: 99%

Absolute term energy of core-excited doublet states of lithium

Chen

Chung

1994

Phys. Rev. A

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Thirteen core-excited lithium doublet states of the P, P', D, and D' symmetries are calculated with a multiconSguration-interaction wave function. A variation method is used for the bound states whereas the saddle-point and saddle-point complex-rotation methods are used for the autoionizing states. A restricted variation method is used for the saturated wave functions. Fine structures, relativistic corrections, and mass polarization corrections are calculated. The quantum electrodynamic corrections are also estimated. The absolute term energy is predicted with an uncertainty which is much smaller than that in the literature. Among these core-excited states, ten doublet-doublet transitions and one doubletquartet transition have been measured. The largest error bar for the transition energy has been 6.2 cm whereas others range from 0.5 to 3.3 cm . Our predicted transition wavelengths agree with the experiment for 10 of the 11 transitions. The only discrepancy is about 2 cm . In the case where there is a disagreement between different experiments, our results show a clear preference in the comparison. The transition rates calculated in this work suggest that other spectral lines may &iso be observed in future experiments.

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“…For inner-hole states, the "hole-filling" pair correlations affect both the energy and the wave function [41- 43,[46][47][48][49]. For atoms, this is especially true for ssos-type correlations [49].…”

Section: Electronic Structure In Real Coordinatesmentioning

confidence: 99%

Many‐electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne⁺ 1s hole state

Nicolaides¹,

Mercouris²,

Komninos³

1984

Int J of Quantum Chemistry

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This article presents the first results of the application of quantum mechanics with complex coordinates to the calculation of partial widths for the radiationless decay of an inner-hole excited autoionizing state, the Netls2s22p6 'S. This is succeeded by the reduction of the multi-electron, multichannel problem in the complex energy plane to five, symmetry adapted, two-electron problems, in accordance with a published theory of many-electron resonances. These two-electron problems are solved independently by using rotated analytic Hartree-Fock orbitals (expressed in terms of Slater orbitals) for the localized components, and Slater plus Gamow orbitals for the rotated, asymptotic square-integrable functions carrying the width information. A recently proposed variational principle is employed for the optimization of nonlinear parameters. Within this independent asymptotic pair approximation (IAPA), our results for the partial widths to the five Ne" channels are

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Theoretical autoionisation rates of the 1s2p²²D and 1s2s2p²P⁰states of Li

Cited by 34 publications

References 13 publications

Energies and autoionization widths in the lithium iso-electronic sequence

Energies and autoionization widths in the lithium iso-electronic sequence

Absolute term energy of core-excited doublet states of lithium

Many‐electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne⁺ 1s hole state

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Theoretical autoionisation rates of the 1s2p22D and 1s2s2p2P0states of Li

Cited by 34 publications

References 13 publications

Energies and autoionization widths in the lithium iso-electronic sequence

Energies and autoionization widths in the lithium iso-electronic sequence

Absolute term energy of core-excited doublet states of lithium

Many‐electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne+ 1s hole state

Contact Info

Product

Resources

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Theoretical autoionisation rates of the 1s2p²²D and 1s2s2p²P⁰states of Li

Many‐electron theory of autoionizing states using complex coordinates: The position and the partial and total widths of the Ne⁺ 1s hole state