原子吸收光谱分析中石墨炉的原子化效率

本文评述了原子吸收光谱分析中石墨炉原子化效率的研究进展，叙述了基础理论、各种原子化效率公式以及βm,βi(exp),βi(cal)间的关系，讨论了原子化效率研究中需要进一步改善的问题。     

锂洞原子双激发态的鞍点能量计算

采用鞍点截断变分方法和鞍点复数转动技术,计算和分析了锂洞原子双激发共振态[1s(2s2p)3P]2P0的鞍点能量和波函数.计算结果表明这种理论计算方法是获得高精度的能量值的重要保证.     

Long Distance Electronic Effects on the Rotational Potential Barriers Around the Caromatic-Cethylenic Bond

A systematic study of the rotational activation free energy around the C_aromatic-C_ethylenic bond of para-substituted styrene systems is carried out in the present work from a quantum chemistry point of view.

Calculations of the rotational potential barriers in the AM1 approach are developed as function of the electron-donor groups localized on the aromatic ring. Based on these calculations and thermodynamical data, we predict changes in the activation free energy barriers due to the long distance electronic effects of the substituents in acetophenones, cinnamaldehydes and benzalketones according to the following equation:

Our results agree the experimental measurements registered up to date and the standard deviations are similar to experimental determinations.     

长程电子关联对有限长聚乙炔链中极化子态的影响

本文采用扩展Hubbard模型, 加上长程关联哈密顿量,在自然边界条件下用自洽场方法研究了有限长反式聚乙炔链中极化子的问题。计算了长程电子关联对极化子的影响并计算了极化子的长程关联能。计算发现长程电子关联使极化子的位形变宽变浅(局域性减弱),在极化子区域,长程电子关联能比平均长程电子关联能要大。当链长增加到100格点以上时,电子极化子和空穴极化子的平均关联能趋于-0.1663eV,而在极化子区域,电子极化子和空穴极化子的平均关联能趋于-0.1868eV。     

相邻类氢离子电离能关系的研究

根据类氢离子电离能的实验值和相邻元素电离能的相关约束方程,定量地建立了各元素类氢离子电离能与核电荷数的较为精确的递推关系.其推算结果与实验值的相对误差小于0.001%,与相对论自洽场方法计算的结果相比,其相对误差也小于0.001%.     

Configuration assignments and decay of 126La high-spin bands

High spin states of ¹²⁶La have been populated using the reaction ¹¹⁶Sn+¹⁴N at 68 MeV. γ-rays and conversion electrons were detected with the GAREL array. Multipolarities of the lowest-lying in-band dipole transitions have been determined from the deduced internal conversion coefficients. Experimental B(M1)/B(E2) ratios have been derived for the bands and compared with calculated values using the D?nau-Frauendorf geometrical model. Configurations are proposed for the bands comparing them with cranked shell model calculations and on the basis of the measured B(M1)/B(E2) ratios. The β-decay of ¹²⁶La has also been revisited. The population of the ¹²⁶Ba levels gives a probable spin value of five for the decaying high-spin ¹²⁶La state with T _1/2≈ 64 s which may indicate a signature inversion in the πh_11/2νh_11/2 band. Received: 12 October 1999     

On the nature of the 17 μs isomer of the <Superscript>133</Superscript>Sb valence nucleus

The decay of the 17 μs isomer of ¹³³Sb was re-investigated experimentally. It was produced by thermal neutron induced fission of ²⁴¹Pu. Its detection is based on time correlation between fission fragments selected by the LOHENGRIN spectrometer at ILL (Grenoble), and the γ-rays, and conversion electrons from the isomer. The interpretation of the level scheme is based on shell model calculations, where empirical two-body matrix elements were employed. The good agreement between theory and experiment suggests that the isomer is the 21/2⁺ member of the 2p-1h πg _7/2ν(f _7/2 h _11/2 ⁻¹) configuration. Received: 20 January 2000 / Revised version: 28 February 2000     

New investigation of the decay of the high-spin isomer in 151Er

The decay of the T _1/2 = 420 ns isomer in ¹⁵¹Er has been reinvestigated. The multipolarities of the decaying transitions have been established by measuring the electron conversion coefficients. An I ^π = 67/2⁻ assignment is proposed for this isomer with a π[h ₁₁^2/4 d ₃^2/1 d ₅^2/−1]⊗ν[f _7/2 h _9/2 h ₁₁^2/−1] configuration.     

Accurate masses of unstable rare-earth isotopes by ISOLTRAP

Direct mass measurements of neutron-deficient rare-earth isotopes in the vicinity of ¹⁴⁶Gd were performed with the Penning trap mass spectrometer ISOLTRAP at ISOLDE/CERN. This paper reports on the measurement of more than 40 isotopes of the elements praseodymium, neodymium, promethium, samarium, europium, dysprosium and holmium, that have been measured with a typical accuracy of m 14 keV. An atomic mass evaluation has been performed taking into account other experimental mass values via a least-squares adjustment. The results of the adjustment are discussed. Received: 18 April 2000 / Accepted: 12 July 2000     

High spin states and evidence for octupole correlations in 117Xe

High-spin states of ¹¹⁷Xe were investigated by means of in-beam γ-ray spectroscopic techniques via the reaction of ²⁸Si bombarding a ⁹²Mo target at beam energies of 100-120 MeV. A positive-parity rotational band decaying into the yrast negative-parity band by a series of enhanced E1 transitions was observed for the first time, implying the existence of octupole correlations in ¹¹⁷Xe. The B(E1) values increase with spin. The νd_5/2 band was firmly established up to 27/2⁺ and the B(M1)/B(E2) ratios were extracted from the relative intensities of γ-rays in this band. The previously known νh_11/2 and νg_7/2 [413]5/2⁺α=−1/2 bands were confirmed and extended up to high spins and two bandcrossings are observed in the latter at ħω=0.33 and 0.44 MeV, respectively. The bandcrossings and configurations of these bands are discussed by TRS and CSM calculations. In a γ–γ–t measurement, the 11/2⁻ and 7/2⁻ levels were identified as two isomers with half-lives of 59.4±20 ns and 16.5±8.0 ns, respectively. Received: 17 June 1997 / Revised version: 29 September 1997