中低速C3+与He，Ne，Ar原子相互作用过程中单电子转移绝对截面的测量

实验测量了1.7v₀—4.2v₀(v₀为玻尔速度,v₀=2.19×10⁸cm/s)的C³⁺与He,Ne,Ar原子碰撞过程中单电子转移绝对截面.将实验结果与多体经典轨道蒙特卡罗模拟计算结果做了比较,发现测量结果与多体经典轨道蒙特卡罗模拟计算结果在趋势上相符.当入射离子速度在1.7v₀—2 关键词： 离子-原子碰撞 单电子转移 绝对截面     

中速C3+与Ne原子靶相互作用过程中单电子转移绝对截面的测量

实验测量了2.2‰-4.2v0(v0为玻尔速度,v0=2.19×108cm/s)的C3 与Ne原子碰撞过程中单电子转移绝对截面.将实验结果与多体经典轨道蒙特卡罗模拟计算结果进行了比较.用电离能的变化、屏蔽效应、动态关联对实验和理论计算结果间的数值差异做了分析.总体上,实验结果与多体经典轨道蒙特卡罗方法计算结果在趋势上相符很好.此外,还简单分析了多电子原子的转移多电离机制.     

中低速C3+与He,Ne,Ar原子相互作用过程中单电子转移绝对截面的测量

实验测量了1.7v0-4.2v0(v0为玻尔速度,v0=2.19×108 cm/s)的C3+与He,Ne,Ar原子碰撞过程中单电子转移绝对截面.将实验结果与多体经典轨道蒙特卡罗模拟计算结果做了比较,发现测量结果与多体经典轨道蒙特卡罗模拟计算结果在趋势上相符.当入射离子速度在1.7v0-2.0v0时,因多体经典轨道蒙特卡罗方法计算时不能考虑多电子关联态俘获和极化效应的影响,实验值大于计算值.当入射离子速度在2.2v0-4.2v0时,由于被俘获电子对入射离子的不完全屏蔽,加上电子间的动态关联及有效电荷的影响,实验结果先与多体经典轨道蒙特卡罗计算结果符合很好,而后逐渐大于计算值.此外,还根据转移电离与单电子俘获的截面比简单分析了转移电离机制.     

中低能非全裸C离子与He原子的碰撞研究

采用反冲离子飞行时间-散射离子位置灵敏符合测量技术，测量了能量范围在0.7v₀—4.4v₀(v₀为玻尔速度)的碳离子C^q+(q=1—4)与He原子碰撞过程不同出射道靶原子的双电离与单电离截面比R，包括入射离子不损失电子(直接电离)的出射道(R_q,q),入射离子俘获一个电子的出射道(R_q,q-1)和入射离子损失一个电子的出射道(R_q,q+1)，并研究了R随入射C离子的能量及电荷态的变化关系.实验表明，对给定电荷态的入射离子，靶原子的双电离与单电离截面比R与出射道有很强的依赖关系，即R_q,q<R_q,q+1<R_q,q-1.直接电离出射道截面比R_q,q与入射离子电荷态几乎无关，而入射离子俘获一个电子的出射道和损失一个电子的出射道靶原子双电离与单电离截面比R_q,q-1和R_q,q+1却与入射离子电荷态有很强的关系.采用原子极化理论和电子屏蔽与反屏蔽作用对实验结果进行了解释. 关键词： 离子-原子碰撞 电离 截面比     

C3+与Ne碰撞过程纯电离绝对截面的测量和研究

介绍了离子-原子碰撞过程中双微分绝对截面的计算方法.利用符合技术测量了中能区C³⁺+Ne碰撞系统的纯电离微分绝对截面. 将实验结果与多体经典蒙特卡罗方法计算结果进行对比后发现，纯电离截面随入射能量变化的趋势基本一致，对理论与实验产生差异的原因作了分析. 对多重电离的电离机制分析表明：高价态的反冲离子主要来自于俄歇贡献；随着入射能量的升高，电子-电子间的库仑作用也逐渐显现. 此实验方法可以用于相同实验装置上的各种反应出射道的绝对截面测量，入射离子种类及入射离子能量范围将得到拓展. 关键词： 离子-原子碰撞 绝对截面 纯电离     

高电荷态Xe离子与He原子碰撞中的电子转移过程研究

采用位置灵敏探测和飞行时间技术研究了高电荷态Xe离子（q=15，17，19，21，23）与He原子碰撞中双电子转移截面与单电子转移截面比随入射离子电荷态的变化规律.提出一步过程假定，对扩展的经典过垒（ECB）模型进行了修正，利用修正模型计算得到的单、双电子转移绝对截面与Andersson等人和Selberg等人的实验结果很好符合，所得截面比与本实验得到的双电子转移截面与单电子俘获截面比较好符合. 关键词： 离子 原子碰撞 电荷转移 一步过程     

非共面几何条件下102eV电子碰撞He原子电离的全微分截面

利用DS3C模型研究了非共面几何(垂直平面与垂直动量转移平面)条件下,散射电子的散射角θ₁取不同固定值时,102eV的电子碰撞He原子单电离反应过程的完全微分截面(FDCS),将其计算结果与3C,CCC等理论模型及实验数据进行了比较.结果表明DS3C模型能够较好地定性描述非共面几何(垂直平面与垂直动量转移平面)条件下的碰撞结果,说明对于非共面几何条件下的碰撞过程,出射道三粒子间的动力学关联效应是比较强的. 关键词： 非共面几何 单电离 全微分截面     

O3+与氦原子碰撞过程的CTMC计算

应用经典径迹蒙特卡罗方法研究了O3+离子与氦原子碰撞的各种反应过程.基于使用多个系统总能量U值,对初始电子的微正则分布进行了优化,使其更接近于量子力学的径向空间分布.作为检验,首先在独立电子模型近似下计算了He2+与氦原子碰撞的各种反应过程,通过与实验的比较,发现对氦原子靶,优化极大地提高了计算精度.计算了O3+与氦原子随入射离子能量变化的各种反应过程截面,特别是单电子丢失、双电子丢失的总截面,以及转移电离截面与单俘获截面的比值,并与实验进行了比较,发现单双电子丢失截面与实验符合得很好,但在大于200 keV/u的能区,转移电离截面与单俘获截面的比值与实验有较大的差距,这表明独立电子模型需要进一步改进.     

基于多体经典轨迹蒙特卡罗方法的H+,Li3+,Be4+,O7+与He原子电荷交换过程

经典轨迹蒙特卡罗(CTMC)方法是研究离子-原子碰撞系统电荷交换过程的常用方法,广泛应用于天体物理以及实验室等离子体环境下重粒子碰撞过程的研究.本文利用四体碰撞模型(4-CTMC)研究了包括两个束缚电子的四体碰撞过程,通过数值求解四体碰撞系统的哈密顿运动方程,计算了高电荷态入射离子(Li³⁺,Be⁴⁺和O⁷⁺)同氦原子在大能量范围的单、双电子电离和俘获截面.H⁺+He碰撞截面的计算中,在50—200 keV/amu的入射能区,4-CTMC的结果几乎重复了实验结果.在高电荷态入射情形下,4-CTMC计算的单电子电离和俘获截面值相较于三体碰撞模型(3-CTMC)在100—500 keV/amu的入射能区内与实验符合更好.尽管4-CTMC和3-CTMC忽略了电子关联,均高估了双电子电离和俘获截面(与实验值相比),但4-CTMC的结果更接近实验.     

经典过垒模型在Xeq++He碰撞中的应用

采用位置灵敏探测和飞行时间技术研究了高电荷态Xe离子(q=15,17,19,21,23)与He原子碰撞中双电子转移截面与单俘获截面比随入射离子电荷态的变化规律.提出一步过程假定,对扩展的经典过垒(ECB)模型进行了修正,利用修正模型计算得到的单、双电子转移绝对截面与Andersson等人和Selberg等人的实验结果符合得很好,所得截面比与本实验得到的双电子转移截面与单电子俘获截面符合得比较好.     

Investigation of transfer ionization in collisions of partially stripped carbon ions with helium at low to intermediate velocities

The ratios of transfer ionization (TI) to single-electron capture (SC) cross sections have been measured for the collisions of partially stripped C^q+ ions (q=1--4) with He. The collision velocity ranges from 0.7 to 4.4v₀ (v₀ is the Bohr velocity). The projectile-ion and recoil-ion coincidence technique is used to separate the processes of TI and SC. The ratios reach the maximum when the velocity is about 3.7v₀ This can be explained qualitatively based on the two-step mechanism. The experimental results are also compared with the results calculated using the classical trajectory Monte Carlo (CTMC) method. The CTMC results are in agreement with the experimental data basically. The discrepancies in higher velocity region are interpreted by the effective charge effect.     

Structural and electronic properties of silver-doped gold clusters Au n Ag v (2 ≤ n ≤ 10; v = 0, ±1): comparison with pure gold clusters

The structural and electronic properties of silver-doped gold clusters Au _n Ag ^v (2?≤?n?≤?10; v?=?0,?±1) have been systematically investigated using density functional theory. The results show that the ground state optimal structures of the cationic and neutral clusters are found to be planar up to n?=?3 and 9, respectively. However, for the anionic clusters, no three-dimensional lowest-energy structures are obtained according to DFT calculations. The calculated binding energy and dissociation energy as a function of cluster size exhibit odd–even alternations. The natural population analysis indicates that in Au _n Ag ^v clusters charges transfer from the Ag atom to the Au frames. The trends for the vertical detachment energies, adiabatic electron affinities, adiabatic ionization potentials, and chemical hardness of Au _n Ag ^v clusters, as the cluster size increases, are studied in detail and compared with the available experimental data.     

Das Neutralgasprofil und die Elektronentemperatur in der Freifallsäule bei hohem Ionisationsgrad

The neutral gas flux from the wall into the column - connected with the ion flux to the wall - and the anisotropy of the velocity distribution of the neutral gas are included into the theory of the steady-state positive column. d/l_n and v_n0/v₀ occur as characteristic parameters. d denotes the radius of the column, l_n the mean free path of the neutral atoms for ionization, v_n0 the mean velocity of the neutral atoms re-emitted from the wall, v₀ = (2kT_e/M)^1/2, M the ion mass, T_e the electron temperature. On the axis the neutral gas density N_n is decreasing, if d/l_n is rising. At the wall N_n is increasing for v_n0 ? v₀, but it is almost constant or decreasing for v_n0 ? v₀ at the same time. In the plasma the total number of the atoms and the ions is taken as constant. In the case of small v_n0 the degree of ionization is high only for d ? l_n. However, it is already high for d ≈ l_n in the case of high v_n0. Therefore, the radial profiles of the neutral gas densities of different gases in a column can differ from each other. Almost full ionization can be reached near the axis. These results hold, too, if the initial velocity of the ions and a magnetic field are taken into account. d/l_n, the degree of ionization, and the electron temperature are given as functions of the electric power input and of the total number of the neutrals and the ions. The velocities of the re-emitted atoms depend on the accomodation coefficient of the ions recombining at the wall. With rising d/l_n an increasing number of the neutral atoms is re-emitted with superthermal velocities and the total number of the neutrals and the ions can be decreased. The anisotropy of the velocity distribution of the neutral atoms and the ions must be taken into account for the interpretations of spectroscopical measurements.     

Ionization of hydrogen and helium atoms by highly charged fast ions in collisions with small momentum transfer

Ionization of hydrogen and helium atoms is studied for the case of “soft” collisions with highly charged fast ions with v≲Z≪v² and v≫v ₀, where Z is the ion charge, v is the collision velocity, and v ₀∼1 is the characteristic velocity of the electron in the ground state of the atom. Analytical expressions are derived for the singly and doubly differential cross section for ionization of a hydrogen atom accompanied by the ejection of a slow electron v _e≲v ₀, where v _e is the velocity of the ejected electron with respect to the recoil ion). The results are generalized to the case of single ionization of helium. It is shown that soft collisions provide the main contribution to the hydrogen ionization cross section and for all practical purposes determine the cross section for single ionization of helium. The asymmetry in the angular distribution of the ejected slow electrons and the properties of momentum exchange in such collisions are discussed. Finally, a formula for the cross section for single ionization of helium is proposed. Zh. éksp. Teor. Fiz. 112, 1966–1977 (December 1997)     

Multiphoton ionization of molecules under the conditions of strong field-induced perturbation of Rydberg states

Multiphonon ionization of the H₂ molecule under the action of a weak (probe) field, which provides the initial population of the low-lying (working) level, and intense monochromatic linearly polarized radiation is studied. The multiphoton ionization process occurs under the conditions of strong field perturbation of two intermediate Rydberg series, np0(¹Σ _u ⁺ and np2(¹Π_u), of the optical R(0)branch which have different ionization potentials. The series are occupied simultaneously as a result of single-photon absorption by an excited H ₂ ^* molecule in the working state 4s σH′¹Σ _g ⁺ (v=0). As a result of the irregularity in the arrangement of the intermediate levels from a large group of states that are combined in the multiphoton ionization process a sharp and irregular change occurs in the dependence of the shifts and widths Γ_n of the levels on the intensity f of the strong field in a transition from one level to another. It is shown that for field intensities f such that the level widths remain much less than the splitting between the levels (Γ_n≪/n ³) the stabilizing effect (i.e., the field-induced narrowing of the levels as f→∞) in the form Γ_n ∝ 1/f ² (as happens in atoms with a structureless core) is not observed in molecular systems. Zh. éksp. Teor. Fiz. 115, 1987–2000 (June 1999)     

Relationship between torsional frequency and potential barrier height forAB n type molecular system

A relationship between the torsional frequency (v ₁₀) and the potential barrier (V _n) has been determined forAB _n type molecular system havingn-fold symmetry axis. It is found thatv ₁₀ varies prominently asV _n ^1/2 ,V _n andV _n ² in certain ranges. TheV _n value computed fromv ₁₀ andI* _r has been compared with that obtained from other experimental data for someAB _n units in different molecular-crystalline systems. Although there is in general a good agreement, in some cases the values differ significantly, perhaps due to the erroneous assignment of torsional mode and/or the large errors in theV _n value obtained from other experimental data.     

Charge transfer between alkali cluster ions and atoms in the 1 to 10 keV collisional energy range

The cross-sections for collisional charge transfer between singly charged free clusters M _n ⁺ (M = Li, Na; n=1...50) and atomic targets A (cesium, potassium) have been measured as a function of collisional relative velocity in laboratory energy range 1–10 keV. For each cluster size, the experimental values of the charge transfer cross-section are fitted with an universal parametric curve with two independent parameters and v_m, the maximum cross-section and the corresponding velocity. For small size clusters (), the characteristic parameters show strong variations with the number of atoms in the cluster. Abrupt dips observed for n=10 and n=22 are attributed to electronic properties. Charge transfer patterns observed for various collisional systems present similarities, which appear more sensitive to cluster quantum size effects than to collision energy defects. In their whole, the and v_m parameters show differences in both their size evolution and their absolute values discussed in term of projectile and target electronic structures. Received 13 April 2000 and Received in final form 29 June 2000     

Calculation of the quenching rate constants for electronically excited singlet molecular nitrogen

The quenching rate constants for the singlet states (a′)⁽¹⁾Σ _u ⁻ (v = 1−17), a ⁽¹⁾Π _g (v = 0−14), and w ⁽¹⁾Δ _u (v = 0−13) of molecular nitrogen colliding with an N₂ molecule are calculated using quantum-chemical approximations. It is shown for the first time that both the intramolecular and intermolecular processes of electronic excitation transfer are significant for these states. Calculated rate constants are in satisfactory agreement with experimental data.     

A microscopic calculation of dynamic critical exponents for displacive phase transitions

For anO(n)-isotropic lattice dynamicalQ ⁴-model describing displacive phase transitions ind dimensions, we employ a microscopic 1/n-expansion in order to show that over-damped soft-phonon behavior emerges for frequencies smaller than those of the characteristic orderv _c =O(n ^–x ). This is concluded from the fact that the displacement propagatorD(q, v) assumes the time-dependent Ginzburg-Landau (TDGL) form with a damping coefficient=O(n ^–x ), whenv becomes smaller thanv _c . The exponentx is found to bex=4–d for 2<d<3,x=(d–1)/2 for 3<d<5, andx=2 ford>5. The dynamic critical exponents forv _c (q) and forD(0,v) are derived atT=T _c 0 and toO(1/n). Their values are nontrivial for 2<d<4 and, within the TDGL-region, agree with the those appearing already for frequencies ofO(n ⁰) in TDGL-models with nonconserved order parameter andO(n ⁰)-damping coefficient. The latter case was studied by Halperin, Hohenberg, and Ma in 1972. Even in the TDGL-region, the energy conservation does not affect the dynamic exponents for largen(>2, since the specific heat is finite), but an energy diffusion singularity appears in theQ ²-response function which is related to the basic quantity of the 1/n-method, the effective interactionU _eff. By an estimate of order we find that the damping coefficients resulting from the coupling between the relaxation modes contained inU _eff and the critical modes inD are of ordern ^–w withw>x, such that the coupling between weakly damped critical modes is responsible for the crossover to the TDGL-behavior for largen. The exponentz=d/2, known to be generated by the coupling between order parameter and conservedO(n)-densities in TDGL-models, cannot be seen up to the order calculated. We also point out problems of a microscopic-expansion and comment upon differences between microscopic treatments for displacive transitions and those for the Bose condensation.