Long range dispersion interactions of the low lying states of Mg with H,He, Ne,Ar, Kr and Xe

The dispersion coefficients for the van der Waals interactions for the low lying states of magnesium (3s² ¹S ^e , 3s3p ³P ^o , 3s3p¹P ^o , 3s4s ³S ^e , 3s4s ¹S ^e , 3s3d ³D ^e and 3s3d ¹D ^e ) interacting with H, He, Ne, Ar, Kr and Xe are determined using sum rules of reduced matrix elements over pseudo-state representations of the atomic excitation spectra. The sets of transition matrix elements were taken from previous investigations of the van der Waals interactions of the Mg₂ dimer and an investigation of the van der Waals interaction for alkali atoms interacting with rare gases.     

Effect of strongly coupled plasma on the doubly excited states of heliumlike ions

The effect of strongly coupled plasma occurring in astrophysical context has been studied for the first time to estimate the energy levels of the autoionizing states of highly stripped astrophysically important ions Al¹¹⁺, Si¹²⁺, P¹³⁺, S¹⁴⁺ and Cl¹⁵⁺ and also C⁴⁺ isoelectronic to helium. The transition energies corresponding to 1s ²:¹S^e → 2s ²:¹S^e, 2p ²:¹D^e, 2s2p:¹P^o, 2s3d:¹D^e and 2p3d:¹F^o are analyzed with respect to different plasma densities using the ion sphere (IS) model of strongly coupled plasma. Transition energies are obtained from the position of the poles of a variational functional based on frequency dependent perturbation calculation probing the collective oscillation modes of the plasma embedded two electron ions. For the free ions corresponding to zero plasma coupling our calculated data agree well with those obtained from spectroscopic data while for the plasma embedded ions the data are new but follow systematic trend. The work has been performed in the domain of linear response theory. The analytical wave function of the doubly excited states have been obtained and may be useful for calculating various transition properties of the plasma embedded ions and also for estimating the rate coefficients for dielectronic recombination processes which play a major role in maintaining equilibrium in high temperature astrophysical or laser produced plasmas.     

Wavelengths for 2pnp 1Pe→2pnd 1Do and 2pnp 3Pe→2pnd 3Do transitions in Li II,Be III,B IV,C V using correlated exponential wave functions

Doubly-excited ^1,3P^e and ^1,3D^o states of Li II, Be III, B IV, C V are calculated using highly correlated exponential wave functions within the framework of Ritz variational principle. The wavelengths for the 2pnp ¹P^e→2pn′d ¹D^o (n, n′≤7) and 2pnp ³P^e→2pn′d ³D^o (n, n′≤7) transitions are reported. Our present results for the 2pnp ^1,3P^e and 2pnd ^1,3D^o states energies are accurate in precision compared to the results of previous calculations. Comparisons are also made with the experimental results. The effective quantum numbers (n^?) for the 2pnp ^1,3P^e and 2pnd ^1,3D^o states are also reported.     

Impact broadening and shift rates for the 6p2 3PJ′ → 7s 3P J o transitions of lead induced by collisions with argon and helium

The collisional broadening and shift rate coefficients of the 283.39 nm (6p ^{2 3}P₀ → 7s ³P₁ ^o ), 364.06 nm (6p ^{2 3}P₁ → 7s ³P₁ ^o ), 368.45 nm (6p ^{2 3}P₁ → 7s ³P₀ ^o ) and 405.90 nm (6p ^{2 3}P₂ → 7s ³P₁ ^o ) Pb lines by He and Ar have been measured by fitting the experimental absorption line shapes to theoretical Voigt profiles. The absorption measurements were performed in a resistively heated, Pb loaded oven with an integrated dc noble gas discharge to produce also Pb atoms in the 6p ^{2 3}P¹ and 6p ^{2 3}P² metastable states. The diffusion of the metastable atoms out of the discharge zone into the neutral noble-gas atmosphere enabled the line-shape and shift measurement of the lines involving the metastable states without the influence of the discharge plasma.     

Doubly-Excited 1,3 P o States of H− Interacting with Screened Coulomb (Yukawa) Potentials

We have investigated the doubly excited 2s2p ³ P ^o and 2s3p ¹ P ^o resonance states of H⁻ embedded in a model plasma environment. Plasma effects are taken care of by using a screened Coulomb (Yukawa-type) potential. Correlated wave functions are used to represent the correlation effect between the charged particles. The density of resonance states has been calculated using the stabilization method. The calculated resonance energies and widths for various screening parameters are reported.     

Photoionization of Al IV (neon-type) from its ground 2s 22p 6 1 S e and excited 2s 22p 53p 3,1 P 0 3 S e states using the R-matrix method

The R-matrix method is used to calculate the total photoionization cross-sections from the ground 2s ²2p ^{6 1} S ^e and the first three excited 2s ²2p ⁵3p ^3,1 S ^e states of Al IV, for photon energies ranging from the first ionization threshold to just above the second threshold of the residual ion Al V. The two lowest LS terms of Al V − 2s ²2p ^{5 2} P ⁰, 2s2p ^{6 2} S ^e, 2s2p ^{6 2} S ^e, represented by sophisticated configuration interaction wavefunctions, are included in the R-matrix calculation. The resulting cross-sections are affected by Rydberg series of resonances converging to the 2s2p ^{6 2} S ^e excited threshold.     

类铍离子低激发态等电子系列的能量、精细结构和超精细结构

采用多组态相互作用方法及Rayleigh-Ritz 变分方法，并考虑相对论修正和质量极化效应，获得了类铍离子等电子系列（Z=4-10）低激发态1s²2p2p ¹D^e和1s²2p3p ³P^e的相对论能量。同时还计算了精细结构和超精细结构。计算结果与其他理论和实验符合的很好。     

Ab initio dipole polarizabilities and quadrupole moments of the lowest excited states of atomic Yb

The finite-field scalar relativistic coupled cluster and configuration interaction, as well as the spin-orbit configuration interaction, methods are employed to calculate the static dipole polarizabilities for the lowest (6s ²) ¹S, (6s6p) ^1,3^{1,3}P^o and (6s5d) ^1,3^{1,3}D excited states of atomic ytterbium. The results agree very well with existing experimental and best theoretical data and refine the set of ytterbium polarizabilities known so far. Similar techniques are used to calculate the electric quadrupole moments for the ^1,3^{1,3}P^o and ^1,3^{1,3}D states.     

F3+和Ne4+离子的光电离截面的理论计算

利用R矩阵方法计算了F³⁺和Ne⁴⁺离子的基态2s²2p²(³P)和激发态2s²2p² (¹D,¹S),2s2p³ (⁵S^o)的分波光电离截面、总光电离截面,分析辨认出了这些离子在自光电离过 关键词： 3+离子和Ne⁴⁺离子')" href="#">F³⁺离子和Ne⁴⁺离子 光电离 自电离共振 R矩阵')" href="#">R矩阵     

The argon nuclear quadrupole moments

New standard values -116(2) mb and 76(3) mb are suggested for the nuclear quadrupole moments (Q) of the ³⁹Ar and ³⁷Ar nuclei, respectively. The Q values were obtained by combining optical measurements of the quadrupole coupling constant (B or eqQ/h) of the 3s²3p⁵4s[3/2]₂ (³P^o) and 3s²3p⁵4p[5/2]₃ (³D^e) states of argon with large scale numerical complete active space self-consistent field and restricted active space self-consistent field calculations of the electric field gradient at the nucleus (q) using the LUCAS code, which is a finite-element based multiconfiguration Hartree–Fock program for atomic structure calculations.     

Relativistic R-matrix close-coupling calculations for photoionization of Ne-like Al IV

We present relativistic close-coupling photoionization calculations of Al IV using the Breit-Pauli R-matrix method to obtain photoionization cross-section of Al IV from the ground state and the lowest two J=0 (even) excited states. A multi-configuration eigenfunctions expansion of the core Al V is employed with spectroscopic configurations 2s²2p⁵, 2s2p⁶, 2s²2p⁴3s, 2s²2p⁴3p, 2s²2p⁴3d and 2s²2p⁴4s. We have included, for the first time, the lowest 68 level target states of Al V in the photoionization calculations of Al IV. Extensive configuration interaction wavefunctions are used to describe both the initial Al IV states and the final Al V states. Cross-sections are compared from three level calculations including only 2s² 2p^{5 2}P^o _3/2, _1/2 and 2s 2p^{6 2}S_1/2 levels of Al V. The present calculation using the lowest 68 target levels of Al V are presented for the first time and should provide reasonably complete database for practical application for photoionization cross-section for Al IV, where high-energy cross-sections along with near-threshold photoionization cross-section is required.     

Two-electron excitation in helium-like ions by electron impact

Calculation of cross-sections for the two-electron excitation in helium-like ions by electron impact employing Coulomb-Born-Oppenheimer (CBO) approximation is presented. Analytical expressions for the differential and total scattering cross-sections without using partial wave expansion of the wavefunction reported earlier have been used. The total and differential scattering cross-sections for each of the excitations 1s ^{2 1} S* → 2s ^{2 1} S ^e , 2s2p ^1.3 P ⁰, 2p ^{2 1} S ^e ,³ P ^e,¹ D ^e in Be²⁺ and B³⁺ are computed. Results for Li⁺ reported earlier are also included for comparison.     

Radiative lifetime and oscillator strength determination in Mg-like potassium (K VIII)

Theoretical transition probabilities have been obtained for 54 n = 3 transitions depopulating the 3s3p ¹P^o, 3p^{2 3}P, ¹D, ¹S, 3s3d ¹D, ³D and 3p3d ³P^o, ³D^o, ³F^o, ¹F^o, ¹D^o, ¹P^o levels, including 14 transitions not yet observed. Some of these predictions have been compared with experimental lifetimes obtained by beam-foil spectroscopy for four n = 3 levels of K⁷⁺. An excellent agreement is observed between theory and experiment for all the levels. Received 23 January 2002 / Received in final form 23 April 2002 Published online 19 July 2002     

Photoionization of the ground1 S e and twenty lowest excited states of the Ne-like Fe16+

TheR-matrix method is used to calculate cross-sections for the photoionization of Ne-like Fe¹⁶⁺ from ground 2s ²2p ⁶¹ S ^e and excited states belonging to 2s2p ⁶ 3l and 2s ²2p ⁵ 3l configurations. Configuration interaction wavefunctions are used to represent two target states of Fe¹⁷⁺ ion retained in theR-matrix expansion. The cross-sections are obtained as a function of kinetic energy (ε _k) of the ejected electron from 10 to 24 Ry. For low kinetic energy the cross-sections show series of Rydberg states which converge onto² S ^e threshold Fe¹⁷⁺. The calculations are carried out in the LS coupling.     

Transition wavelengths for helium atom in weakly coupled hot plasmas

We have investigated the effect of surrounding plasmas on several singly excited and doubly excited meta-stable bound states of helium atom using highly correlated basis functions for singly excited S, P, D states and CI-type basis functions for doubly excited meta-stable D states. Plasma effect is taken care of by using a screened Coulomb (Yukawa) potential obtained from the Debye model that admits a variety of plasma conditions, and such a model plays an important role in plasma spectroscopy. The wavelengths for transitions from the 1snp ¹P° (n=2,3)→1s²¹S^e, 1snp ³P° (n=2,3)→1s2s ³S^e, 2pnp ¹P^e (n=3,4)→1s2p ¹P°, 2pnp ³P^e (n=2,3)→1s2p ³P°, 2pnd ¹D° (n=3,4)→1s3d ¹D^e, 2pnd ³D° (n=3,4)→1s3d ³D^e, 2p3p ¹P^e→2pnd ¹D° (n=3,4), 2pnd ¹D°(n=3, 4)→2p4p ¹P^e, 2pnp ³P^e (n=2,3)→2p3d ³D°, and 2pnp ³P^e (n=2,3)→2p4d ³D° of helium atom in plasmas for various Debye lengths are reported.     

Oscillator strengths for P V,S VI,Cl VII,Ar VIII and K IX

Summary Optical-oscillator strengths, of both the length and the velocity forms, for the inner-shell excitation 1s ²2s ²2p ⁶3s ² S ^e→1s ²2s ²2p ⁵3s ^{2 2} P ^o transition, which leads to autoionization (Auger transition), in P V, S VI, Cl VII, Ar VIII and K IX ions of the sodium isoelectronic sequence have been calculated using the approach suggested by one of us (Tiwary) in the case of the Fe XVI ion. Our present calculated results demonstrate that the Tiwary approach is capable of yielding encouraging results. A part of this work was done while the author was Research Director and Professor, CNRS Laboratory, University of Paris-Sud, Paris and Observatoire de Paris, Meudon, Paris, France.     

锶原子三重态谱线的观测及在光钟中的应用

实验中通过互组跃迁689 nm激光抽运形成三重态最低能态原子布居,引入688 nm激光改变三重态最低能态间的原子布居,利用抽运光与探测光空间分离的方法观测碱土金属锶原子的三重态能态间跃迁(5s6s)³S₁ → (5s5p)³P_j(j=0,1,2)的吸收谱线,对应三条跃迁线的激光波段为679 nm, 688 nm和707 nm.探测三重态原子跃迁谱线可以用于锶原子冷却中再抽运光707 nm和679 nm激光频率的直接锁定,相比于通常利用的腔传递技术,可以把再抽运光频率锁定在原子跃迁谱线上,有利于提高锶原子冷却中俘获原子数目的长期稳定性.     

Excitation of the Li isoelectronic sequence

Summary The inner-shell excitation 1s ²2s ² S ^e→1s2s ²² S ^e, which leads to autoionization (Auger transition), as well as the outer-shell excitation 1s ²2s ² S ^e→ 1s ²2p ² P ⁰ transitions have been investigated in Li, Be⁺, B²⁺ and C³⁺ ions of the lithium isoelectronic sequence employing the configuration interaction wave functions for both the initial and final states involved in the transition matrix element. Results are compared with other available theoretical predictions and experimental observations. Comparison shows that our present theoretical results are encouraging. A part of this work was done while the author was Research Director and Professor, CNRS Laboratory, University of Paris-Sud, Paris and Observatoire de Paris, Meudon, Paris, France.     

Electron impact excitation rate coefficients of N II ion

This paper calculates the electron impact excitation rate coefficients from the ground term 2s²2p^{2 3}P to the excited terms of the 2s²2p², 2s2p³, 2s²2p3s, 2s²2p3p, and 2s²2p3d configurations of N II. In the calculations, multiconfiguration Dirac--Fork wave functions have been applied to describe the target-ion states and relativistic distorted-wave calculation has been performed to generate fine-structure collision strengths. The collision strengths are then averaged over a Maxwellian distribution of electron velocities in order to generate the effective collision strengths. The calculated rate coefficients are compared with available experimental and theoretical data, and some good agreements are found for the outer shell electron excitations. But for the inner shell electron excitations there are still some differences between the present calculations and available experiments.