The dipole-length, dipole-velocity and dipole-acceleration absorption oscillator strengths for the 1s^22s-1s^2np (3 ≤ n ≤9) transitions of lithium-like systems from Z = 11 to 20 are calculated by using the energie...The dipole-length, dipole-velocity and dipole-acceleration absorption oscillator strengths for the 1s^22s-1s^2np (3 ≤ n ≤9) transitions of lithium-like systems from Z = 11 to 20 are calculated by using the energies and the multiconfiguration interaction wave functions obtained from a full core plus correlation method, in which relativistic and mass-polarization effects on the energy, as the first-order perturbation corrections, are included. The results of three forms are in good agreement with each other, and closely agree with the experimental data available in the literature. Based on the quantum defects obtained with quantum defect theory (QDT), the discrete oscillator strengths for the transitions from the ground state to highly excited states 1s^2np (n ≥ 10) and oscillator strength densities corresponding to the bound-free transitions are obtained for these ions.展开更多
We report in this paper the ground-state energy 2s^(2)^(1)S and total energies of doubly excited states 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I of the Helium isoelectronic sequence from H-to Ca^(18+).Calculations are perf...We report in this paper the ground-state energy 2s^(2)^(1)S and total energies of doubly excited states 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I of the Helium isoelectronic sequence from H-to Ca^(18+).Calculations are performed using the Modified Atomic Orbital Theory(MAOT)in the framework of a variational procedure.The purpose of this study required a mathematical development of the Hamiltonian applied to Slater-type wave function[1]combining with Hylleraas-type wave function[2].The study leads to analytical expressions which are carried out under special MAXIMA computational program.This first proposed MAOT variational procedure,leads to accurate results in good agreement as well as with available other theoretical results than experimental data.In the present work,a new correlated wave function is presented to express analytically the total energies for the 2s21S ground state and each doubly 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I excited states in the He-like systems.The present accurate data may be a useful guideline for future experimental and theoretical studies in the(nI^(2))systems.展开更多
In this study, the energy for the ground state of helium and a few helium-like ions (Z=1-6) is computed variationally by using a Hylleraas-like wavefunction. A four-parameters wavefunction, satisfying boundary condi...In this study, the energy for the ground state of helium and a few helium-like ions (Z=1-6) is computed variationally by using a Hylleraas-like wavefunction. A four-parameters wavefunction, satisfying boundary conditions for coalescence points, is combined with a Hylleraas-like basis set which explicitly incorporates r12 interelectronic distance. The main contribution of this work is the introduction of modified correlation terms leading to the definition of integral transforms which provide the calculation of expectation value of energy to be done analytically over single-particle coordinates instead of Hylleraas coordinates.展开更多
Energy levels, wavelengths, transition rates, oscillator strengths, and lifetimes between the 2s22p23P1,2s22p23P2,and 2s2p35S2 levels of ions in the carbon-like (C-like) isoelectronic sequence (nuclear charges Z=7...Energy levels, wavelengths, transition rates, oscillator strengths, and lifetimes between the 2s22p23P1,2s22p23P2,and 2s2p35S2 levels of ions in the carbon-like (C-like) isoelectronic sequence (nuclear charges Z=7-92) are calculated in the valence and core-valence limits using the multiconfiguration Dirac–Fock method. The Breit interaction, quantum electrodynamics (QED), and finite nuclear mass effects are taken into account in subsequent relativistic configuration-interaction calculations. The calculated energies and transition rates are compared with the critically evaluated experimental values and other recent calculated results. Our calculated data are in good agreement with these data.展开更多
The nonrelativistic dipole-length, -velocity and -acceleration absorptionoscillator strengths for the 1s~22s-1s~22p transitions of the lithium isoelectronic sequence from Z= 11 to 20 are calculated by using the energi...The nonrelativistic dipole-length, -velocity and -acceleration absorptionoscillator strengths for the 1s~22s-1s~22p transitions of the lithium isoelectronic sequence from Z= 11 to 20 are calculated by using the energies and the multiconfiguration interaction wavefunctions obtained from a full core plus correlation (FCPC) method. In most cases, the agreementbetween the oscillator strengths values from the length and velocity formula is up to four or fivedigit. Our results are aiso in good agreement with previous theoretical data available in theliterature.展开更多
In this paper, resonance energies and excitation energies of doubly 2<em>sns</em> <sup>1,3</sup><em>S</em><sup>e</sup>, 2<em>snp</em> <sup>1,3</sup&...In this paper, resonance energies and excitation energies of doubly 2<em>sns</em> <sup>1,3</sup><em>S</em><sup>e</sup>, 2<em>snp</em> <sup>1,3</sup><em>P</em><sup>0</sup>, 2<em>pnp</em> <sup>1,3</sup><em>D</em><sup>e</sup>, 2<em>pnd</em> <sup>1,3</sup><em>F</em><sup>0</sup> and 2<em>pnf</em> <sup>1,3</sup><em>G</em><sup>e</sup> excited states of the helium isoelectronic sequence with <em>Z</em> <span style="white-space:nowrap;">≤</span> 10 are calculated. Calculations are carried out in the framework of the variational procedure of the formalism of the Screening Constant per Unit Nuclear Charge (SCUNC). New correlated wave function of Hylleraas type is used. Precise resonance and excitation energies are tabulated and good agreement is obtained when a comparison is made with available literature values.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No 10774063)
文摘The dipole-length, dipole-velocity and dipole-acceleration absorption oscillator strengths for the 1s^22s-1s^2np (3 ≤ n ≤9) transitions of lithium-like systems from Z = 11 to 20 are calculated by using the energies and the multiconfiguration interaction wave functions obtained from a full core plus correlation method, in which relativistic and mass-polarization effects on the energy, as the first-order perturbation corrections, are included. The results of three forms are in good agreement with each other, and closely agree with the experimental data available in the literature. Based on the quantum defects obtained with quantum defect theory (QDT), the discrete oscillator strengths for the transitions from the ground state to highly excited states 1s^2np (n ≥ 10) and oscillator strength densities corresponding to the bound-free transitions are obtained for these ions.
文摘We report in this paper the ground-state energy 2s^(2)^(1)S and total energies of doubly excited states 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I of the Helium isoelectronic sequence from H-to Ca^(18+).Calculations are performed using the Modified Atomic Orbital Theory(MAOT)in the framework of a variational procedure.The purpose of this study required a mathematical development of the Hamiltonian applied to Slater-type wave function[1]combining with Hylleraas-type wave function[2].The study leads to analytical expressions which are carried out under special MAXIMA computational program.This first proposed MAOT variational procedure,leads to accurate results in good agreement as well as with available other theoretical results than experimental data.In the present work,a new correlated wave function is presented to express analytically the total energies for the 2s21S ground state and each doubly 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I excited states in the He-like systems.The present accurate data may be a useful guideline for future experimental and theoretical studies in the(nI^(2))systems.
基金Project supported by the Cumhuriyet University National MOVPE Crystal Growth and Characterization Laboratory,DPT-K120,TUBITAK (Grant Nos TBAG 105T492,TBAG 107T012,and TBAG-108T015)
文摘In this study, the energy for the ground state of helium and a few helium-like ions (Z=1-6) is computed variationally by using a Hylleraas-like wavefunction. A four-parameters wavefunction, satisfying boundary conditions for coalescence points, is combined with a Hylleraas-like basis set which explicitly incorporates r12 interelectronic distance. The main contribution of this work is the introduction of modified correlation terms leading to the definition of integral transforms which provide the calculation of expectation value of energy to be done analytically over single-particle coordinates instead of Hylleraas coordinates.
基金the National Natural Science Foundation of China(Grant No.11174213)
文摘Energy levels, wavelengths, transition rates, oscillator strengths, and lifetimes between the 2s22p23P1,2s22p23P2,and 2s2p35S2 levels of ions in the carbon-like (C-like) isoelectronic sequence (nuclear charges Z=7-92) are calculated in the valence and core-valence limits using the multiconfiguration Dirac–Fock method. The Breit interaction, quantum electrodynamics (QED), and finite nuclear mass effects are taken into account in subsequent relativistic configuration-interaction calculations. The calculated energies and transition rates are compared with the critically evaluated experimental values and other recent calculated results. Our calculated data are in good agreement with these data.
基金The project supported by National Natural Science Foundation of China under Grant Nos.10347114,10174029the China Postdoctoral Science Foundation
文摘The nonrelativistic dipole-length, -velocity and -acceleration absorptionoscillator strengths for the 1s~22s-1s~22p transitions of the lithium isoelectronic sequence from Z= 11 to 20 are calculated by using the energies and the multiconfiguration interaction wavefunctions obtained from a full core plus correlation (FCPC) method. In most cases, the agreementbetween the oscillator strengths values from the length and velocity formula is up to four or fivedigit. Our results are aiso in good agreement with previous theoretical data available in theliterature.
文摘In this paper, resonance energies and excitation energies of doubly 2<em>sns</em> <sup>1,3</sup><em>S</em><sup>e</sup>, 2<em>snp</em> <sup>1,3</sup><em>P</em><sup>0</sup>, 2<em>pnp</em> <sup>1,3</sup><em>D</em><sup>e</sup>, 2<em>pnd</em> <sup>1,3</sup><em>F</em><sup>0</sup> and 2<em>pnf</em> <sup>1,3</sup><em>G</em><sup>e</sup> excited states of the helium isoelectronic sequence with <em>Z</em> <span style="white-space:nowrap;">≤</span> 10 are calculated. Calculations are carried out in the framework of the variational procedure of the formalism of the Screening Constant per Unit Nuclear Charge (SCUNC). New correlated wave function of Hylleraas type is used. Precise resonance and excitation energies are tabulated and good agreement is obtained when a comparison is made with available literature values.