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H3^+和H4^+分子的几何构型与性质   总被引:1,自引:0,他引:1  
用从头算法得到H3^+只有唯一构型,而H4^+则有10种不同的可能构型存在,其中包括D2h、D∞h、C3v、C2v等不同的几何构型。同时,计算表明H4^+和H4^+是不能稳定存在的,并详细地讨论了其Jahn-Teller效应。  相似文献   

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The single charge transfer process in ^3He^2+ + ^4He collisions is investigated using the quantum-mechanical molecular- orbital close-coupling method, in which the adiabatic potentials and radial couplings are calculated by using the ab initio multireference single- and double-excitation configuration interaction methods. The differential cross sections for the single charge transfer are presented at the laboratorial energies E = 6 keV and lOkeV for the projectile ^3He^2+. Comparison with the existing data shows that the present results are better in agreement with the experimental measurements than other calculations in the dominant small angle scattering, which is attributed to the accurate calculations of the adiabatic potentials and the radial couplings.  相似文献   

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基于多体项展式方法所导出的NeH2^+(^2Σ^+)的分析势能函数,用准经典的Monte-Carlo轨迹法研究了Ne+H2^+(v)→NeH^++H、Ne+H2^+(v)→Ne+H+H^+和NeH^++H→H2^++Ne的反应动力学。研究表明,前两个反应在H2^+的初始振动基态时的反应阈能分别为16kcal·mol^-1和62kcal·mol^-1,反应阈能随振动量子数增大而减小。最后一个反应是无  相似文献   

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该文报告了高频离子源中4HeH+的形成机理  相似文献   

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此文效益用ab initioCID/31G法计算了HeH2^+(X^2∑^+)的平衡键长,离解能和谐性力常数。应用简化的多体项展式法,导出了HeH2^+(X^2∑^+)的分析势能函数,考察了势能面的主要特征。  相似文献   

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Total and differential cross sections for K^ -^6Li elastic scattering are calculated using the folding optical potential model,in which the influence of three factors is considered including the recoil of target nucleus,the loosely bounded nuclear density and the unusual spin of ^6Li ground state.The theoretical results are found in pretty good accordance with the existing experimental data at PK=715 MeV/c.  相似文献   

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Relativistic many-body perturbation calculation is applied to calculate the hyperfine constants for the lowlying states 6S1/2, 6P1/2, 6P3/2, 5D3/2, and 5D5/2 in the alkaline earth ion ^137Ba^+. The zeroth-order hyperfine constants are calculated with Dirac-Fock wave functions, and the finite basis sets of the Dirac-Fock equation are constructed by B splines. With the finite basis sets, the core polarization and the correlation effect are calculated. The final results for magnetic dipole hyperfine a constants are obtained.  相似文献   

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The angular distributions of elastic scattering for the ^6Li +^208Pb system have been measured at several energies around the Coulomb barrier. The parameters of optical potential are extracted by means of a phenomenological optical model analysis. It is found that the real and imaginal potentials show a pronounced energy dependence. The behaviour of the potential at the nearly especially sub-barrier energies in the ^6Li+^208Pb system is quite different from the results of some previous reports observed in other systems, such as ^19F+^208Pb and ^16O+^208Pb. This unusual threshold phenomenon indicates that breakup channel is strongly coupled with the elastic channel and has obvious effects on optical potential.  相似文献   

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We have measured the fusion cross sections for ^48Ca+^90,96Zr around the Coulomb barrier and presented them along with the experimental data of ^40Ca+^90,96Zr. The experimental results are compared with the improved quantum molecular dynamics model calculations. It is shown in comparison that the dynamical effects play an important role in the sub-barrier fusion reaction  相似文献   

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Ion source effect on the bond length of ^4HeH^+   总被引:2,自引:0,他引:2       下载免费PDF全文
The bond length of ^4HeH^+ resulting from collision-induced destruction is measured at 1.4420 MeV using the Coulomb Explosion Technique. The measured bond length of ^4HeH^+ is 0.094±0.003nm. The bond length of ^4HeH^+ obtained with our radio frequency (RF) ion source is larger than that obtained with a duoplasmatron ion source at Argonne National Laboratory (ANL), but the bond lengths of H^+2 and H^+3obtained separately by ANL and by us with the two different ion sources are consistent with each other, which implies that there exists an ion source effect on the bond length of ^4HeH^+. The main reason why the 4^4HeH^+ bond lengths obtained by the two different ion sources are different is also discussed.  相似文献   

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H4^+团簇离子的形成和分解   总被引:11,自引:7,他引:4  
简报报告了1.8MeV的H+4团簇离子及其产物的测量结果。讨论了H+4的形成和分解反应。  相似文献   

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利用Penning ion trap获得了七种不同延时时间(即反应时间)的离子谱Hn^ (n≤4),用充分的实验数据证实了H4^ 是稳定的,稳定时间达1秒量级。实验结果显示:H4^ 是经合成反应H2^ H2→H4^ ,H3^ H H2→H4^ H2产生的;H4^ 的分解产物是H3^ Ho分析得出:H4^ 构型为H3^ -核构型。  相似文献   

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A single ^40Ca^+ ion is loaded in a miniature Paul trap and the probability of directly loading a single ion is above 50%. The signal-to-noise ratio and the storage time for a single ion have been improved by minimizing the ion micromotion and locking a 397nm cooling laser to a Fabry-Perot interferometer and optogalvanic signal. From the fluorescence spectrum, the ion temperature is estimated to be about 5mK.  相似文献   

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Based on shell model of nuclei, the influence of a high magnetic field on β^+ decay in the crusts of accreting neutron stars is analyzed. The magnetic field effect on 54 Mn is discussed. The results show that a weak magnetic field makes little effect on β^+ decay but a strong magnetic field (B 〉 10^11 G) improves β^+ decay rates obviously. The conclusion derived will benefit to develop further research on nuclear astrophysics in the future.  相似文献   

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