Mn22+离子1s23d1s2nf的跃迁能和振子强度

用全实加关联方法计算了类锂Mn22 离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构,在类氢近似下估算了对能量的高阶相对论修正.依据量子亏损理论,确定了Rydberg系列1s2nf的量子数亏损,据此可以实现对任意高激发态(n≥10)的能量的可靠预言.计算了Mn22 离子1s23d-1s2nf(4≤n≤9)偶极跃迁的振子强度.     

Cr~(21+)离子1s~23d-1s~2nf的跃迁能和偶极振子强度(英文)

用全实加关联方法计算了类锂Cr21+离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构.在类氢近似下估算了对能量的高阶相对论修正.依据量子亏损理论,确定了Rydberg系列1s2nf的量子数亏损.据此可以实现对任意高激发态(n≥10)的能量的可靠预言.计算了Cr21+离子1s23d-1s2nf(4≤n≤9)跃迁的振子强度.与量子亏损理论相结合,得到该离子从1s23d态到电离阈附近高激发束缚态间的偶极跃迁振子强度以及到相应连续态跃迁的振子强度密度,从而将Cr21+离子的这一重     

Fe23+离子1s22s-1s2np的跃迁能和偶极振子强度

用全实加关联方法计算了类锂Fe23 离子1s22s-1s2np(2≤n≤9)的跃迁能和1s2np(n≤9)态的精细结构.依据单通道量子亏损理论,确定了Rydberg系列1s2np的量子数亏损.用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量的可靠预言.用在计算能量过程中确定的波函数,计算了Fe23 离子1s22s-1s2np(2≤n≤9)跃迁的振子强度.将这些分立态振子强度与单通道量子亏损理论相结合,得到该离子从基态到电离阈附近高激发束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将Fe23 离子的这一重要光谱特性的理论预言外推到整个能域.     

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。     

Ti19+离子1s23d-1s2nf的跃迁能和振子强度

用全实加关联方法计算了类锂Ti19 离子1s23d-1s2nf(4≤n≤9)的跃迁能、振子强度及1s2nf(n≤9)态的精细结构劈裂.依据单通道量子亏损理论,确定了该Rydberg系列的量子数亏损.用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量的可靠预言.将这些分立态振子强度与单通道量子亏损理论相结合,得到在电离阈附近束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而实现了Ti19 离子量子跃迁特性的全能域理论预言.     

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)     

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.     

Mn22+离子1s22s-1s2np的偶极跃迁能和振子强度

用全实加关联方法计算了类锂Mn22 离子1s22s-1s2np(2≤n≤9)的偶极跃迁能和振子强度.1s2np(2≤n≤9)态的精细结构通过计算自旋-轨道与自旋-其他轨道相互作用算符的期待值确定.依据单通道量子亏损理论,确定了Rydberg系列1s2np的量子数亏损.从而可以用这些作为能量的缓变函数的量子亏损,实现对任意高激发态(n≥10)的能量的可靠预言.将这些分立态振子强度与单通道量子亏损理论相结合,得到在电离阈附近束缚态-束缚态跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将Mn22 离子的这一重要光谱特性的理论预言外推到整个能域.     

V20+离子1s23d-1s2nf的跃迁能和振子强度

用全实加关联方法计算了类锂V20 离子1s23d-1s2nf的跃迁能和偶极振子强度.依据量子亏损理论,确定了1s2nf系列的量子数亏损,用这些作为能量的缓变函数的量子亏损,实现对该Rydberg系列任意高激发态(n≥10)的能量的可靠预言.将这些分立态振子强度与量子亏损理论相结合,得到在电离域附近束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将V20 离子的这一重要光谱特性的理论预言外推到整个能域.     

V20+离子1s23d-1s2nf的跃迁能和振子强

用全实加关联方法计算了类锂V20+离子1s23d-1s2nf的跃迁能和偶极振子强度.依据量子亏损理论, 确定了1s2nf系列的量子数亏损,用这些作为能量的缓变函数的量子亏损,实现对该Rydberg系列任意高激发态(n≥10)的能量的可靠预言.将这些分立态振子强度与量子亏损理论相结合,得到在电离域附近束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将V20+离子的这一重要光谱特性的理论预言外推到整个能域.     

Sc+18离子1s23d-1s2nf的跃迁能和偶极振子强度

用全实加关联方法计算了类锂Sc 18离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构。依据量子亏损理论确定了该Rydberg系列的量子数亏损,用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量可靠的预言。利用在计算能量过程中确定的波函数,计算了Sc 18离子1s23d-1s2nf的偶极跃迁在三种规范下振子强度;将这些分立态振子强度与量子亏损理论相结合,得到在电离阈附近束缚态-束缚态跃迁振子强度以及束缚态-连续态跃迁振子强度密度,从而将Sc 18离子的这一重要光谱特性的理论预言外推到整个能域。     

Numerical study of IP3-induced Ca2+ spiral pattern evolution

The effect of change in concentration of messenger molecule inositol 1,4,5-trisphosphate (IPspiral wave, Ca$^{2 + }$, IPspiral wave, Ca$^{2 + }$, IP$_{3}$Project supported by the National Natural Science Foundation of China (Grant Nos 10575041 and 10747005)0545The effect of change in concentration of messenger molecule inositol 1,4,5-trisphosphate (IP$_{3})$ on intracellular Ca$^{2 + }$spiral pattern evolution is studied numerically. The results indicate that when the IP$_{3}$ concentration decreases from 0.27\,$\mu $M, a physiologically reasonable value, to different values, the spiral centre drifts to the edge of the medium and disappears for a small enough IP$_{3}$ concentration. The instability of spiral pattern can be understood in terms of excitability-change controlled by the IP$_{3}$ concentration. On the other hand, when the IP$_{3}$ concentration increases from 0.27\,$\mu $M, a homogeneous area with a high Ca$^{2 + }$ concentration emerges and competes with the spiral pattern. A high enough IP$_{3}$ concentration can lead the homogeneous area to occupy the whole medium. The instability of spiral pattern is ascribed to the change in stability of a stationary state with a high Ca$^{2 + }$ concentration.     

Wavelength and oscillator strength of dipole transition 1s<Superscript>2</Superscript>2p—1s<Superscript>2</Superscript><Emphasis Type="Italic">n</Emphasis>d for Mn<Superscript>22+</Superscript> ion

The transition energies, wavelengths and dipole oscillator strengths of 1s²2p—1s² nd (3⩽n⩽9) for Mn²²⁺ ion are calculated. The fine structure splittings of 1s² nd (n</9) states for this ion are also evaluated. In calculating energy, the higher-order relativistic contribution is estimated under a hydrogenic approximation. The quantum defect of Rydberg series 1s² nd is determined according to the quantum defect theory. The results obtained in this paper excellently agree with the experimental data available in literatures. Supported by the National Natural Science Foundation of China (Grant No. 10774063)     

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.     

V+20离子的能量和偶极振子强度

用全实加关联方法计算了类锂V+20离子 1s2nl(l=s,p, d;n≤9) 态的电离势和精细结构.依据单通道量子亏损理论, 确定了这三个Rydberg系列的量子数亏损.用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量的可靠预言.用在计算能量过程中确定的波函数,计算了V+20离子1s22s-1s2np及1s22p-1s2nd (n≤9)跃迁的振子强度.将这些分立态振子强度与单通道量子亏损理论相结合,得到在电离域附近束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将V+20离子的这一重要光谱特性的理论预言外推到整个能域.     

Co24+离子1s23s-1s2np跃迁的波长和振子强度

用全实加关联方法计算了Cu26+离子1s23s和1s2np (n £ 9)态的非相对论能量;在计算相对论效应和质量极化效应对体系能量的一级修正、估算高阶相对论修正和QED修正的基础上,计算了该离子1s23s-1s2np的跃迁能、波长和在三种规范下的振子强度,得到与现有实验数据符合得很好的结果.与量子亏损理论结合,将对该离子能量和振子强度的理论预言准确地外推到包括连续态的整个能域.     

Ultraviolet and visible upconversion dynamics in Er^3＋：YAlO3 under ^2H11/2 excitation

The luminescence of Er^3＋：YAlO3 in ultraviolet visible and infrared ranges under the 518 nm excitation of the multiples ^2H11/2 have been investigated. Ultraviolet （275 nm and 318 nm）, violet （405 nm and 413 nm） and blue （474 nm） upconversion and infrared downconversion luminescence has been observed. By means of measuring the fluorescence decay curves and using the theory of rate equations, the luminescence kinetics was studied in detail and the processes of energy transfer upconversion （ETU） and excitation state absorption （ESA） were proposed to explain the upconversion phenomena.     

Cu26+离子1s23s-1s2np跃迁的波长和振子强度

用全实加关联方法计算了Cu26+离子1s23s和1s2np (n  9)态的非相对论能量.在计算相对论效应和质量极化效应对体系能量的一级修正的基础上,通过引入价电子的有效核电荷,在类氢近似下,估算了对能量的高阶相对论修正和QED修正,计算了该离子1s23s-1s2np的跃迁能, 波长和在三种规范下的振子强度.得到与现有实验数据符合得很好的结果.与量子亏损理论结合,将对该离子能量和振子强度的理论预言准确地外推到包括连续态的整个能域.     

Cr4+在八面体格位中的光谱特性研究

采用提拉法生长了Cr单掺和Cr，Mg共掺Al₂O₃晶体，后者具有900—1600nm的宽带吸收.研究了该吸收带在不同气氛、不同温度退火下的变化规律.通过建立合理的晶格缺陷模型，成功地解释了所有的实验结果，并确定Cr，Mg共掺Al₂O₃晶体红外波段宽吸收带属于八面体格位中的Cr⁴⁺离子. 关键词： 4+离子')" href="#">Cr⁴⁺离子 八面体格位 晶格缺陷     

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.