Investigation of deformed nuclei with a new potential combination

We investigate the alpha-decay half-lives of non-spherical nuclei with the Yukawa potential as the prox- imity potential and an angle-dependent term that accounts for the deformation effects and apply the results to Ho, Tb, Lu, Tin, Ta, Hf, Yb, Re, Ir, Pt, Au, Po, etc. as examples. The comparison with the existing data is encouraging.     

Surface diffuseness of deformed and rotating nuclei

The surface diffuseness of deformed and rotating nuclei has been studied using the energy density formalism. It is shown that the surface diffuseness exhibits an anisotropy. This anisotropy in surface diffuseness can result in an anisotropic charged particle emission from highly spinning nuclei as has been seen in some recent experiments.     

Systematic study of α decay half-lives for even–even nuclei within a deformed two-potential approach

In this work, we systematically study the α decay half-lives of 196 even–even nuclei using a two-potential approach improved by considering nuclear deformation. The results show that the accuracy of this model has been improved after considering nuclear deformation. In addition, we extend this model to predict the α decay half-lives of Z = 118 and 120 isotopes by inputting the α decay energies extracted from the Weizsacker–Skyrme-type (WS-type) mass model, a simple nuclear mass formula, relativistic continuum Hartree–Bogoliubov theory and Duflo-Zuker-19 (DZ19) mass model. It is useful for identifying the new superheavy elements or isotopes for future experiments. Finally, the predicted α decay energies and half-lives of Z = 118 and 120 isotopes are analyzed, and the shell structure of superheavy nuclei is discussed. It shows that the shell effect is obvious at N = 184, while the shell effect at N = 178 depends on the nuclear mass model.     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子     

Calculations of the β-decay half-lives of neutron-deficient nuclei

In this work,β~+/EC decays of some medium-mass nuclei are investigated within the extended quasiparticle random-phase approximation(QRPA),where neutron-neutron,proton-proton and neutron-proton(np) pairing correlations are taken into consideration in the specialized Hartree-Fock-Bogoliubov(HFB) transformation.In addition to the pairing interaction,the Br¨uckner G-matrix obtained with the charge-dependent Bonn nucleon-nucleon force is used for the residual particle-particle and particle-hole interactions.Calculations are performed for even-even proton-rich isotopes ranging from Z =24 to Z =34.It is found that the np pairing interaction plays a significant role inβ-decay for some nuclei far from stability.Compared with other theoretical calculations,our calculations show good agreement with the available experimental data.Predictions of β-decay half-lives for some very neutron-deficient nuclei are made for reference.     

Microscopic study of odd-A nuclei

The odd-proton nucleus¹⁵⁵Tb and odd-neutron nucleus¹⁵⁵Dy are studied along with doubly-even nucleus¹⁵⁶Dy using microscopic method of variation after projection of angular momentum and conservation of nucleon number in each projected state. The calculated energies of the ground band in¹⁵⁶Dy and the ground and excited bands in¹⁵⁵Dy and¹⁵⁵Tb are in good agreement with the corresponding experimental data. The role played by thei _13/2 neutron pair in these nuclei is discussed.     

The infinite-volume ground state of the Lennard-Jones potential

We consider a finite chain of particles in one dimension, interacting through the Lennard-Jones potential. We prove the ground state is unique, and approaches uniform spacing in the infinite-particle limit.Research supported in part by NSF grant MCS 78-01520.     

Theoretical study on the complexes of He, Ne and Ar

This paper investigates the effect of basis sets through the potential energy curves(PECs) of six rare gas complexes He 2,Ne 2,Ar 2,He-Ne,He-Ar,and Ne-Ar.The coupled cluster singles and doubles method with perturbative treatment of triple excitations,doubly augmented basis sets of d-aug-cc-pVQZ,bond functions,and basis set superposition errors are employed.The diffuse function is more effective than the polarization function on describing the dissociation energy.The PECs are fitted into analytical potential energy functions(APEFs) using three expressions.It is found that all the expressions are suitable for describing the complexes of rare gases.Based on these APEFs,the spectroscopic parameters are calculated and the results are compared with the theoretical and experimental data available in the literature.     

新核素265Bh及其α衰变链上核的基态性质

运用变形的相对论平均场理论系统地探讨了新核素Bh及其va衰变链的基态性质. 对关联的处理采用了BCS方法, 不成对核子的处理运用了``阻塞"法后,所计算的结合能和四极形变符合了有限力程小液滴模型的结果, 计算表明研究的va衰 变链具有中等大小的长椭球形变; 且计算的va衰变能Q_α成功地与实验符合.在此基础上进一步研究了新核素Bh的单粒子能级.     

Structure and analytical potential energy function for the ground state of the BCx (x=0, －1)

In this paper, the electronic states of the ground states and dissociation limits of BC and BC- are correctly determined based on group theory and atomic and molecular reaction statics. The equilibrium geometries, harmonic frequencies and dissociation energies of the ground state of BC and BC- are calculated by using density function theory and quadratic CI method including single and double substitutions. The analytical potential energy functions of these states have been fitted with Murrell-Sorbie potential energy function from our ab initio calculation results. The spectroscopic data （αe, ωe and ωeχe） of each state is calculated via the relation between analytical potential energy function and spectroscopic data. All the calculations are in good agreement with the experimental data.     

Identification of a 9/2~-[505] isomer in the neutron-rich ~(193)Os nucleus

The neutron rich nucleus ¹⁹³Os was produced in the ¹⁹²Os(⁷Li, ⁶Li)¹⁹³Os reaction. An isomeric state based on the 9/2^-[505] Nilsson orbital was identified in the present work. The half-life of the isomeric state was extracted and discussed in terms of the K quantum number. A level scheme built on the isomeric state was proposed based on the experimental data.     

XY(H,Li, Na)分子基态的结构与势能函数

运用群论及原子分子反应静力学方法，推导了XY(H，Li，Na)分子基态的电子态及相应的离解极限.并采用密度泛函方法(B3LYP)和二次组态相互作用方法(QCISD)优化计算了XY(H，Li，Na)分子基态的平衡结构、振动频率和离解能.使用QCISD/6-311++G(3df,3pd)方法，对XY(H，Li，Na)分子基态进行了单点能扫描计算，采用最小二乘法拟合Murrell-Sorbie函数得到了相应的势能函数和与该基态相对应的光谱常数(B_e,α_e,ω_e和ω_eχ_e)，计算结果与实验数据符合得相当好. 关键词： 组态相关方法 基态 势能函数     

Theoretical study on the transition properties of AlF

Potential energy curves of the X$^{1}\Sigma ^{+}$ and A$^{1}\Pi $ states of the AlF molecule are studied through the combination of the multi-reference configuration interaction (MRCI) approach and Davidson corrections (MRCI$+$Q). The AWCV5Z basis set is employed in the calculations. The transition dipole moments (TDMs) of the A$^{1}\Pi \leftrightarrow {\rm X}^{1}\Sigma^{+}$ transition are explored based on the AWCV5Z basis set and (4, 2, 2, 0) active space. The Schrödinger equation is solved via the LEVEL 8.2 program, and the vibrational levels and rotational constants of the X$^{1}\Sigma^{+}$ and A$^{1}\Pi $ states are calculated. It is shown that the AlF molecule has high diagonal Franck-Condon factors ($f_{00}=0.9949$ and $f_{11}=0.9854$) and large Einstein coefficients for the transition of A$^{1}\Pi {(\nu }'=0)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$. In addition, the radiative lifetimes of the vibrational levels are close to 10$^{-9}$ s for the A$^{1}\Pi $ state. The line intensities of the A$^{1}\Pi {\rm (\nu }'=4-15)\leftrightarrow {\rm X}^{1}\Sigma^{+}{\rm (\nu }'=0)$ transitions are also calculated. The calculated TDMs and transition probabilities in this work are credible and provide some guidance for the study of similar transitions, particularly for exploring interstellar space.     

对N=184附近核的壳效应的理论研究

在形变的相对论平均场模型下采用TMA,NLZ2两套参数对Z=96—102,N=162—190区域偶偶核基态性质进行了系统的计算,对得出的理论结合能、α衰变能、四极形变参数进行了分析和讨论.这些结果同已有的SkyrmeHartreeFock计算的结果做了对比,并分析了在N=184附近的壳效应,可供以后理论或实验研究参考.     

Theoretical study on the isomerization mechanisms of phenylazopyridine on S0 and S1 states

In this work, some important structures tied closely to the isomerization of 2‐(phenylazo)pyridine (2‐PAPy) and 4‐(phenylazo)pyridine (4‐PAPy) on the S₀ and S₁ states were characterized in detail by using the complete active space SCF (CASSCF) theory. The isomerization mechanism was discussed on the basis of the mapped potential energy surfaces (PESs) and conical intersections (CIs). A comparison of PAPy with azobenzene was carried out to stress the effect of molecular structure on the photoisomerization details. The results indicate that the thermal isomerization for both 2‐PAPy and 4‐PAPy are mainly attributed to the inversion of CNN angle on the side of the pyridine ring. In view of the energy, an optimized CI_rot with a twisting structure supports the rotation mechanism in the photoisomerization of PAPy on the S₁ state. However, it was found that another conical intersection (CI_inv) with a planar structure is higher in energy than the corresponding trans‐FC structure, via which only the PAPy excited on S₂ state or vibrationally hot S₁ state can relax their excitation energy. Minimum energy paths (MEPs) showed that the relaxation process of cis‐PAPy being excited on the S₁ state is characterized by a smoothly falling curve, which is very similar to that of azobenzene. Furthermore, a S₁ minimum and a transition state (TS₁) were found to exist on the MEP starting from the trans‐FC point to the CI_rot for 4‐PAPy, but these two typical structures were not found on the MEP of 2‐PAPy. Compared with azobenzene, 4‐PAPy exhibits a very similar photoisomerization PES, but a subtly different one can be predicted in the case of 2‐PAPy. The present results are expected to provide useful information for the design of photoresponsive materials based on the PAPy units. Copyright © 2009 John Wiley & Sons, Ltd.     

有效液滴模型对超铅区结团放射性的研究

利用有效液滴模型计算了超铅区结团放射半衰期.在计算Gamow势垒穿透因子时采用了碎块体积不守恒以及有效惯性系数因子,并用有效的核半径常数公式代替原来的经验公式.理论计算得到的结团放射半衰期和实验值符合得很好,其半衰期对数值的均方差只有0.895.理论结果表明,有效液滴模型能充分反映N=126和Z=82的壳效应,并且在奇数结团25Ne,29Mg中出现了明显的奇偶质量摆动现象.另外,理论计算得到的结团半衰期基本符合盖革-努塔尔定律,并基于理论结果得到了一些关于盖革-努塔尔定律的有意义的结论.     

Decay Experiments on N∼Z nuclei: The role of Masses, Q Values and Separation Energies

By using heavy-ion induced fusion-evaporation reactions at the on-line mass separator of GSI, decay properties of neutron-deficient isotopes between ⁵⁶Ni and ¹⁰⁰Sn were investigated. Recent experimental results will be presented and discussed, with particular emphasis on the role of masses, Q values and separation energies. This revised version was published online in July 2006 with corrections to the Cover Date.     

U+CO体系的分子反应动力学研究

基于CUO分子(X3A″)的多体展式分析势能函数,用准经典的MonteCarlo轨迹法研究了U+CO(0,0)的分子反应动力学过程.结果表明:在碰撞能低时(<215kJ.mol-1),可以生成长寿命络合物CUO(X3A″),并且该络合反应是无阈能反应,这一结论与前文用多体项展式理论计算的CUO分子势能曲线结果一致.碰撞能大于4184kJ.mol-1后,逐渐出现置换产物UO和UC,随碰撞能进一步增大,分子将被完全碰散成U,C,O原子,而且反应U+CO(0,0)→UO+C,U+CO(0,0)→UC+O和U+CO(0,0)→U+O+C是有阈能反应基于CUO分子(X3A″)的多体展式分析势能函数,用准经典的MonteCarlo轨迹法研究了U+CO(0,0)的分子反应动力学过程.结果表明:在碰撞能低时(<215kJ.mol-1),可以生成长寿命络合物CUO(X3A″),并且该络合反应是无阈能反应,这一结论与前文用多体项展式理论计算的CUO分子势能曲线结果一致.碰撞能大于4184kJ.mol-1后,逐渐出现置换产物UO和UC,随碰撞能进一步增大,分子将被完全碰散成U,C,O原子,而且反应U+CO(0,0)→UO+C,U+CO(0,0)→UC+O和U+CO(0,0)→U+O+C是有阈能反应 关键词： 玻色-爱因斯坦凝聚体 V型三能级原子 双模压缩态光场 光场正交压缩     

Influences on the pseudospin symmetry from the different fields of mesons in deformed nuclei

Influences from different fields of mesons on the pseudospin symmetry are investigated for deformed nuclei. The energy splitting between pseudospin partners are extracted from the relativistic mean field calculations. The results show that the σ-field contribution to the pseudospin energy splitting has nearly the same magnitude as the one obtained by the ω-field, but with opposite signs. The pseudospin energy splittings either for neutron or for protons are almost the same if the σ-field (V _σ ) and the ω-field (V _ω ) change at the same scale. The pseudospin energy splitting depends in the same way as the nucleus binding energy of the cancellation of these two potentials, and is controlled by the same nuclear physics scale as the potential sum V _ω + V _σ In comparison with the σ- and ω-fields, it is seen that the ρ meson field produces a minor influence on the pseudospin symmetry.