Excited states of Ne isoelectronic ions: SAC-CI study

Excited states of the s, p, and d symmetries up to principal quantum number n = 4 are studied for the first eight members of Ne isoelectronic sequence (Ne to Cl⁷⁺) by the SAC-CI (symmetry-adapted-cluster configuration-interaction) method. The valence STO basis sets of Clementi et al. and the optimized excited STO are used by the STO-6G expansion method. The calculated transition energies agree well with the experimental values wherever available. Received 26 July 2000 and Received in final form 14 September 2000     

Sodium in a strong magnetic field

We investigate the effects of a magnetic field with low to intermediate strength on several spectroscopic properties of the sodium atom. A model potential is used to describe the core of sodium, reducing the study of the system to an effective one-particle problem. All states with principal quantum numbers n = 3, 4, 5, 6 and 7 are studied and analysed. A grid of twenty values for the field strength in the complete regime B = 0 - 0.02 a.u. is employed. Ionisation energies, transition wavelengths and their dipole oscillator strengths are presented. Received 5 November 2002 Published online 4 February 2003     

Sc+18离子的跃迁能和振子强度

用全实加关联方法计算了Sc⁺¹⁸离子1s²2s--1s²np (2≤n≤9) 和1s²2p--1s²nd (3≤n ≤9)的跃迁能和振子强度。1s²np和1s²nd 态的精细结构劈裂通过计算自旋-轨道及自旋-其他轨道相互作用算符的期待值加以确定。还得到了这两个里德堡系列的量子亏损（作为能量的函数）。依据三种规范的振子强度公式得到的计算结果相当好的一致。将这些计算结果与量子亏损理论相结合，进一步得到电离阈附近的分立态-分立态跃迁的振子强度和分立态-连续态跃迁的振子强度密度。     

Theoretical study on 2s2p6np Rydberg states of Cu19+ ion

We report on the calculations of transition wavelengths and weighted oscillator strengths for 2s²2p⁶-2s2p⁶ⁿp (4 ≤ n ≤ 20) electric dipole (E1) transitions of Cu¹⁹⁺ ion. The flexible atomic code (FAC) has been adopted for the calculations. Comparisons are made with the experimental data available, showing that the present results for 4 ≤ n ≤ 6 are more accurate than the previous calculated values. Furthermore, combining the quantum defect theory (QDT) with the transition energies of 2s²2p⁶-2s2p⁶np, the quantum defects for 2s2p⁶np Rydberg series of Cu¹⁹⁺ ion are determined. In addition, the energies of any highly excited states (n > 20) for this series can be reliably predicted using the QDT and the given quantum defects. The ionization energies for Cu¹⁹⁺ and Cu²⁰⁺ ions are also calculated and they excellently accord with previous experimental and calculated values.     

Transition energy and dipole oscillator strength of 1s23d- 1s2nf transitions for Sc18+ ion

The transition energies of the 1s²3d-1s² nf (4⩽n⩽9) transitions and fine structure splittings of 1s² nf (n⩽9) states for Sc¹⁸⁺ ion are calculated with the full-core plus correlation method. The quantum defect of 1s² nf series is determined by the single-channel quantum defect theory. The energies of any highly excited states with n⩾10 for this series can be reliably predicted using the quantum defect as function of energy. Three alternative forms of the dipole oscillator strengths for the 1s²3d-1s² nf (n⩽9) transitions of Sc¹⁸⁺ ion are calculated with the transition energies and wave functions obtained above. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for 1s²3d-1s² nf (n > 9) transitions and the oscillator strengths densities corresponding to the bound-free transitions are obtained. __________ Translated from Chinese Journal of Atomic and Molecular Physics, 2005, 22(4) (in Chinese)     

相对论效应对类锂离子能级结构及辐射跃迁性质的影响

利用基于多组态Dirac-Hartree-Fock(MCDHF) 理论方法的相对论原子结构计算程序包GRASP2K, 细致计算了中性锂原子、类锂Be⁺, C³⁺, O⁵⁺, Ne⁷⁺, Ar¹⁵⁺, Fe²³⁺, Mo³⁹⁺, W⁷¹⁺及U^{89 +} 离子基组态及较低的激发组态1s²nl (n = 2---4, l =s,p,d,f) 的精细结构能级, 以及各能级间发生电偶极(E1) 自发辐射跃迁的能量、概率及振子强度. 同时, 在非相对论极限下, 计算了其相关原子参数. 通过对相对论及非相对论计算结果的比较, 系统研究了相对论效应对类锂等电子系列离子能级结构及E1跃迁性质的影响, 揭示了随原子核电荷数Z变化时, 跃迁能、振子强度强烈依赖于量子数n, l, j变化的规律; 同时, 目前的计算结果与其他已有的理论计算及实验测量结果进行了比较.     

Transition energy and dipole oscillator strength of 1s23d-1s2 nf transitions for Sc18+ ion

The transition energies of the 1s²3d-1s² nf (4?n?9) transitions and fine structure splittings of 1s² nf (n?9) states for Sc¹⁸⁺ ion are calculated with the full-core plus correlation method. The quantum defect of 1s² nf series is determined by the single-channel quantum defect theory. The energies of any highly excited states with n?10 for this series can be reliably predicted using the quantum defect as function of energy. Three alternative forms of the dipole oscillator strengths for the 1s²3d-1s² nf (n?9) transitions of Sc¹⁸⁺ ion are calculated with the transition energies and wave functions obtained above. Combining the quantum defect theory with the discrete oscillator strengths, the discrete oscillator strengths for 1s²3d-1s² nf (n > 9) transitions and the oscillator strengths densities corresponding to the bound-free transitions are obtained.     

Spin-polarized Dirac-Slater calculations on the energies of hollow argon atom

In this work, the multiplet splitting in terms of a spin-dependent model is analyzed. The spin-polarized and unpolarized single configuration Dirac-Fock-Slater wavefunctions have been used in the evaluation of the total energies of highly ionized argon with different L shell population The transition energies of hollow argon atom with initial configurations 1s ⁰ _1/22s ^m _1/22p ⁿ _1/22p ^l _3/2 with m = 0 to 2 and n + l varying from 6 to 1 are reported in this work. The calculations have been carried out by taking into account a relativistic exchange potential in the Dirac-Slater potential. To account for the correlation effects, a correction term has also been considered perturbatively. The present calculations show that the spin-polarized technique which is mainly applied to the ground states of atoms may also be applied to atoms ionized in the inner shells with a good degree of accuracy. Received 5 December 2000 and Received in final form 9 April 2001     

The 27Al (p,γ)28Si reaction: direct capture cross-section and resonance strengths at Ep = 0.2-1.12 MeV

The ²⁷Al(p,γ)²⁸Si reaction has been investigated using two different 4π NaI summing detectors. The strength of 26 resonances in the energy range from 200 to 1120 keV has been measured. In addition, yield measurements have been carried out at 9 beam energies in the 490 to 1150 keV range in order to determine the direct capture cross-section. The existing data on the non-resonant mechanism were analysed and combined with the results of the present work. The resulting resonance strengths as well as the deduced direct capture astrophysical S-factor are compared with previous work. Received: 4 October 2000 / Accepted: 7 December 2000     

Energy and Oscillator Strength of V20+ Ion

The ionization potentials and fine structure splittings of 1s² nl (l = s, p, and d; n ⩽ 9) states for lithium-like V²⁰⁺ ion are calculated by using the full-core plus correlation (FCPC) method. The quantum defects of these three Rydberg series are determined according to the single-channel quantum defect theory (QDT). The energies of any highly excited states with n ⩾ 10 for these series can be reliably predicted using the quantum defects that are function of energy. The dipole oscillator strengths for the 1s²2s–1s² np and 1s²2p–1s² nd (n ⩽ 9) transitions of V²⁰⁺ ion are calculated with the energies and FCPC wave functions obtained above. Combining the QDT with the discrete oscillator strengths, the discrete oscillator strengths for the transitions from the given initial state to highly excited states (n ⩾ 10) and the oscillator strength density corresponding to the bound-free transitions are obtained. Translated from Chinese Journal of Atomic and Molecular Physics, 2005(2) (in Chinese)     

Rotational and rovibrational transitions in the a 1Δ2 and b 1Σ+0+ states of sulfur monoxide radical

ABSTRACT

Sulfur monoxide radical has widely been detected in outer space using ground-state spectroscopy. The a ¹Δ₂ and b ¹Σ⁺₀₊ states of this radical have low excitation energies, and they possibly exist in outer space. In this work, the potential energy curves and dipole moment functions of the two states were evaluated using the complete active space self- consistent field method, followed by the valence internally contracted multireference configuration interaction approach. The transition line positions, oscillator strengths, band transition dipole matrix elements, Einstein A coefficients, and Franck–Condon factors of all transitions were calculated for lower vibrational levels at rotational angular momentum quantum number J up to 150. The transition line positions calculated in this study are in good agreement with the experimental results. The rovibrational transition became noticeably weak at Δυ > 5. Comparing the results of a ¹Δ₂ and b ¹Σ⁺₀₊ states reported in this paper with the previous values, we conclude that these results are the most accurate and complete to date.     

New accurate data for the spectrum of neutral silver

High resolution spectra of neutral silver have been recorded by Fourier Transform Spectrometry in the region 2 000-8 280 ?(50 000-12 000 cm^-1) with silver-neon and silver-argon hollow cathode lamps as sources. This work represents order-of-magnitude improvements, compared to previous work on Ag I, in accuracy of transition wavelengths and wavenumbers, and energy level values. 35 classified Ag I transitions are given, and the wavenumber uncertainty for the strongest lines is less than 0.002 cm^-1. Improved values for 28 energy levels are presented. Received 31 January 2000 and Received in final form 13 June 2000     

Breit-Pauli energy levels and radiative lifetimes in neutral chlorine

Breit-Pauli Energy levels, oscillator strengths and transition probabilities for all the transitions in Cl I between the fine structure levels of 3s² 3p⁵, 3s² 3p⁴3d, 3s² 3p⁴4s and 3s²3p⁴4p states are calculated using extensive configuration interaction (CI) wave functions. We have also determined the lifetimes of 3s² 3p⁴3d, 3s² 3p⁴4s and 3s² 3p⁴4p levels. The relativistic effects are included through Breit-Pauli approximation via spin-orbit, Darwin and mass correction terms. Prior to the calculations of the oscillator strengths and transition probabilities, we fine-tune the CI coefficient using experimental energies. Our results are compared with experimental and other available theoretical data. The calculated energy levels are in close agreement with most of the NIST compiled data. We predict new lifetime data for several levels where no other theoretical and/or experimental results are available, which will form the basis for the future experimental work. Electronic supplementary material Online Material     

A study on the156,158,160,162,164,166Dy isotopes

The microscopic structure of the 0⁺ excitations of the^{156,158,160,162,164,166}Dy isotopes has been studied using the Pairing Plus Quadrupole (PPQ) model in the framework of the Random Phase Approximation (RPA). To determine the nature and general trends of the properties of these states depending on the neutron number, their energies, theB(E2) andρ ²(E0) transition values and two-nucleon transfer strengths have been calculated. In addition, the relative summed strengths ofL=0 transitions in the (t,p) and (p,t) reactions have been calculated and compared with experiment.     

One-electron spectrum of Yb+: Relativistic energies,transition probabilities and dipole polarizability

Calculations are reported of relativistic ionization energies and transition probabilities in the one-electron spectrum of singly-ionized ytterbium. The relativistic model potential approach used takes into account both valence-core electron exchange and correlation. The influence of polarization of the core by valence electrons on ionization energies and transition probabilities has been studied. Strong cancellation effects have been found for higher transitions of the principal series; these affect both transition probabilities and relative line strengths. The energies are predicted for some states which have not yet been experimentally localized. The static dipole polarizability for Yb⁺ is estimated to be 48.18 g₀³ from computed oscillator strengths; this estimate is compared with lower bounds determined from experimental data.     

Theoretical study on behaviors of 1s22s-1s2np transition for Co24+ ion in the whole energy region

Non-relativistic energies of 1s²2s and 1s² np (n⩽9) states for Co²⁴⁺ ion are calculated by using the full-core plus correlation method. Our results of 1s²2s and 1s²2p states agree well with the high-precision results of Yan et al. Based on calculating the first-order corrections to the energy from relativistic and mass-polarization effects, we estimate the higher-order relativistic contribution and QED correction to the energy under a hydrogenic approximation. The transition energies, wavelengths and oscillator strengths for the 1s²2s−1s² np (n⩽9) transitions of this ion are calculated. The results agree with the experimental data available in literature satisfactorily. By combining with quantum defect theory, our theoretical predictions on the energy and oscillator strength of this ion are extrapolated to the whole energy region including continuous states.     

Relativistic calculations of 3s2 1S0-3s3p 1P1 and 3s2 1S0-3s3p 3P1,2 transition probabilities in the Mg isoelectronic sequence

Using the multi-configuration Dirac-Fock self-consistent field method and the relativistic configuration-interaction method,calculations of transition energies,oscillator strengths and rates are performed for the 3s 2 1 S 0-3s3p 1 P 1 spinallowed transition,3s 2 1 S 0-3s3p 3 P 1,2 intercombination and magnetic quadrupole transition in the Mg isoelectronic sequence(Mg I,Al II,Si III,P IV and S V).Electron correlations are treated adequately,including intravalence electron correlations.The influence of the Breit interaction on oscillator strengths and transition energies are investigated.Quantum electrodynamics corrections are added as corrections.The calculation results are found to be in good agreement with the experimental data and other theoretical calculations.     

Lifetimes and configuration mixing in 110Cd

Lifetimes of excited states in ¹¹⁰Cd have been measured by the Doppler shift attenuation method in the reaction (α,2nγ) at E _α= 25 MeV. Lifetime values for 8 states and lifetime limits for 3 states were obtained. The band structures of ¹¹⁰Cd have been interpreted in terms of a modified version of the interacting boson model (IBM + 2 q.p.). The calculations explain well the excitation energies and electromagnetic transition probabilities up to J ^π= 16⁺, except for the 10⁺ ₁ state. The structural features are discussed in terms of collective and two quasiparticle excitations. Received: 20 March 1999 / Revised version: 28 May 1999     

The directed flow maximum near cs = 0

We investigate the excitation function of quark-gluon plasma formation and of directed in-plane flow of nucleons in the energy range of the BNL-AGS and for the E ^kin _Lab = 40A GeV Pb + Pb collisions performed recently at the CERN-SPS. We employ the three-fluid model with dynamical unification of kinetically equilibrated fluid elements. Within our model with first-order phase transition at high density, droplets of QGP coexisting with hadronic matter are produced already at BNL-AGS energies, E ^kin _Lab≃ 10A GeV. A substantial decrease of the isentropic velocity of sound, however, requires higher energies, E ^kin _Lab≃ 40A GeV. We show the effect on the flow of nucleons in the reaction plane. According to our model calculations, kinematic requirements and EoS effects work hand-in-hand at E ^kin _Lab = 40A GeV to allow the observation of the dropping velocity of sound via an increase of the directed flow around midrapidity as compared to top BNL-AGS energy. Received: 7 May 2000 / Accepted: 2 August 2000