Variational calculations for the energy levels of confined two-electron atomic systems

Saha, Biswajit; Mukherjee, Tapan Kumar; Mukherjee, P. K.; Diercksen, Geerd H. F.

doi:10.1007/s00214-002-0389-z

Cited by 66 publications

(51 citation statements)

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“…A particular value of the screening parameter D corresponds to the range of plasma conditions, as the Debye parameter is a function of electron density and electron temperature. For two-component plasmas near thermodynamic equilibrium, the Debye length D can be written as [4,6,16,17]…”

Section: Theoretical Detailsmentioning

confidence: 99%

Bound states of helium atom in dense plasmas

Kar

2005

Int J of Quantum Chemistry

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ABSTRACT:We have obtained the bound 1s 2 1 S, 1s2s 1,3 S, and 1s2p 1,3 P states energies of helium atom in dense plasma environments in accurate variation calculations. A screened Coulomb potential to represent the Debye model is used for the interaction between the charged particles. A correlated wave function consisting of a generalized exponential expansion has been used to take care of the correlation effect. The 1s 2 1 S, 1s2s 1,3 S, and 1s2p 1,3 P states energies along with the ionization potential, the energy splitting between the 1s2s 3 S, and 1s2s 1 S states, transition energies between the ground state and low-excited states of He estimated for various Debye lengths, are reported. The results show high degree of accuracy even under strong plasma conditions.

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Section: Theoretical Detailsmentioning

confidence: 99%

Bound states of helium atom in dense plasmas

Kar

2005

Int J of Quantum Chemistry

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“…Recently, the confined systems with two-electron in different geometrical arrangements have been investigated by using various methods such as variational [18][19][20], configuration interaction [21,22], Monte Carlo [23], and different approaches [24][25][26][27]. Very recently, Flores-Riveros and Rodrí-guez-Contreras [28] for the confined helium and helium-like atoms, Garza and Vargas [29] for the confined helium atom, and Patil and Varshni [30] for the confined hydrogen and helium atoms spherically enclosed by an impenetrable box carried out the energies of the ground and three low excited states by using various methods.…”

Section: Introduction Rmentioning

confidence: 99%

Computation of ionization and various excited state energies ofhelium and helium‐like quantum dots

Yakar

Çakır

Özmen

2011

Int J of Quantum Chemistry

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In the effective mass approximation, we calculated the wave functions and some energy states of helium and helium-like quantum dots (QDs) with impurity charges Z ¼ 0, 1, 2, 3, and 4. In addition, we carried out the ionization energies of these QDs as a function of dot radius, and we investigated the influence of impurity on the ionization energy. We utilized the method that is a combination of quantum genetic algorithm (QGA) and Hartree-Fock Roothaan (HFR). The results are in a good agreement with literature results.

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“…They found a larger deviation from the isolated-atom case than that given by the Stewart-Pyatt shift. Modifications of atomic properties in a plasma environment have been studied with the Debye screening model and the ion-sphere model for one-electron systems [40][41][42] and many-electron systems [43][44][45][46]. Other studies of the lowering of the ionization energy are summarized in Ref.…”

Section: Introductionmentioning

confidence: 99%

Effect of screening by external charges on the atomic orbitals and photoinduced processes within the Hartree-Fock-Slater atom

et al. 2012

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X-ray free-electron lasers (XFELs) are a promising tool for the structural determination of macro-and biomolecules, using coherent diffractive imaging. During imaging, the intense XFEL pulses also efficiently ionize the molecules, so it is important to estimate how the charged environment within the molecule modifies atomic properties, in comparison to the case of an isolated atom. Here, we apply the XATOM toolkit to obtain predictions on the modified ionization thresholds and rates of some photoinduced processes in carbon. The Hartree-Fock-Slater model is extended to include the electron screening and ion correlation effects, induced by external charges. With this extended model, we obtain predictions on modifications of orbital energies, photoabsorption cross sections, Auger decay rates, fluorescence emission rates, and atomic scattering factors as a function of the density and temperature of the surrounding charges. Our results have implications for the studies of dynamics within XFEL irradiated samples, in particular for those dedicated to coherent diffraction imaging.

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Variational calculations for the energy levels of confined two-electron atomic systems

Cited by 66 publications

References 0 publications

Bound states of helium atom in dense plasmas

Bound states of helium atom in dense plasmas

Computation of ionization and various excited state energies ofhelium and helium‐like quantum dots

Effect of screening by external charges on the atomic orbitals and photoinduced processes within the Hartree-Fock-Slater atom

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