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1.
Absolute differential, elastic integrated and moment transfer cross sections for electron--OCS collisions at intermediate and high energies 下载免费PDF全文
A complex optical model potential modified by incorporating the
concept of bonded atom, which takes into consideration the
overlapping effect of electron clouds between atoms in a molecule, is
firstly employed to calculate the absolute differential, elastic
integrated and moment transfer cross sections for electron scattering
by OCS over the incident energy range from 200 to 1000\,eV using the
additivity rule model at Hartree--Fock level. The calculated results
are compared with those obtained by experiment and other theories
wherever available, and good agreement is obtained over a wide energy
range. It is shown that the additivity rule model together with the
modified potential is completely suitable for calculating the
absolute differential, elastic integrated and moment transfer cross
sections of electron scattering by molecules such as OCS. 相似文献
2.
在考虑分子内成键原子间的电子云重叠效应的基础上,提出了一种能够准确计算“中、高能电子-分子”散射的微分截面、动量转移截面及弹性积分截面的修正势方法.利用可加性规则、使用Hartree-Fock波函数并采用被这一方法修正过的复光学势,在100—1000eV内对电子被SO2分子散射的微分截面、动量转移截面及弹性积分截面进行了计算,并将计算结果与实验及其他理论结果进行比较.结果表明,利用这一修正过的复光学势及可加性规则获得的微分截面比利用未修正的复光学势及可加性规则得到的结果准确得多,计算得到的动量转移截面及弹性积分截面在入射电子能量不低于200eV时也都比较接近实验值. 相似文献
3.
Differential, elastic integral and moment transfer cross sections for electron scattering from N2 at intermediate- and high-energies 下载免费PDF全文
A complex optical model potential modified by incorporating the concept of bonded atom, with the overlapping effect of electron clouds between two atoms in a molecule taken into consideration, is firstly employed to calculate the differential cross sections, elastic integral cross sections, and moment transfer cross sections for electron scattering from molecular nitrogen over the energy range 300—1000eV by using additivity rule model at Hartree—Fock level. The bonded-atom concept is used in the study of the complex optical model potential composed of static, exchange, correlation polarization and absorption contributions. The calculated quantitative molecular differential cross sections, elastic integral cross sections, and moment transfer cross sections are compared with the experimental and theoretical ones wherever available, and they are found to be in good agreement with each other. It is shown that the additivity rule model together with the complex optical model potential modified by incorporating the concept of bonded atom is completely suitable for the calculations of differential cross section, elastic integral cross section and moment transfer cross section over the intermediate- and high-energy ranges. 相似文献
4.
在考虑分子内成键原子间的电子云重叠效应的基础上, 提出了一种能够准确计算“中、高能电子-分子”散射的微分截面、动量转移截面及弹性积分截面的修正势方法. 利用可加性规则、使用Hartree-Fock波函数并采用被这一方法修正过的复光学势, 在100—1000eV内对电子被SO2分子散射的微分截面、动量转移截面及弹性积分截面进行了计算, 并将计算结果与实验及其他理论结果进行比较. 结果表明, 利用这一修正过的复光学势及可加性规则获得的微分截面比利用未修正的复光学势及可加性规则得到的结果准
关键词:
可加性规则
微分截面
动量转移截面
电子散射 相似文献
5.
6.
Calculation of the elastic collision properties of Na and Li atoms at ultracold temperature 下载免费PDF全文
This paper firstly reports a theoretical study of elastic scattering
properties in a mixture of 23Na and 7Li atoms at cold and
ultracold temperatures in detail. Based on the new constructed
accurate singlet X1∑g+ and the triplet a3∑u+
states interatomic potentials for 23Na7Li mixture, it
calculates the scattering lengths and the effective ranges by three
computational methods, and obtains good agreements. Using the mass
scaling method, it also calculates 23Na6Li scattering
lengths and s-wave and total elastic cross sections, whose rich
resonance structures were found and interpreted in terms of
quasibound diatomic levels trapped behind a centrifugal barrier. 相似文献
7.
首先用Huxley势函数形式拟合了在RCCSD(T)/aug-cc-pVTZ+bf理论水平下计算的He-NO相互作用能数据,获得了He原子与NO分子相互作用的各向异性势,然后采用密耦近似方法计算了He-NO碰撞体系的总微分截面、弹性微分截面和非弹性微分截面,并总结了微分散射截面的变化规律. 结果表明,拟合势不但表达形式简洁,而且较好地描述了He-NO系统相互作用的各向异性特征;利用碰撞体系分子间势的量子化学从头计算结果,可解决势能参数难以确定的问题,对进一步研究原子与分子碰撞机理有一定参考价值.
关键词:
各向异性势
势能参数
密耦近似
微分截面 相似文献
8.
9.
利用可加性规则,使用Roothaan-Hartree-Fock波函数,采用由束缚原子概念修正过的复光 学势,在300—1000eV内若干个能量点处计算了电子被O2及CF4分子 散射的微分截面、 弹性积分截面及动量转移截面,并将计算结果与实验结果及其他理论计算结果进行了比较. 比较的结果表明,利用被束缚原子概念修正过的复光学势及可加性规则进行计算,所得微分 散射截面的精度要比利用未修正的复光学势及可加性规则进行计算得到的结果准确得多;同 时,计算得到的弹性积分截面及动量转移截面也比较接近实验值.因此,在复光学势中采用 束缚原子概念可提高电子被分子散射的微分截面、弹性积分截面及动量转移截面的计算准确 度.
关键词:
电子散射
可加性规则
微分截面
弹性积分截面 相似文献
10.
11.
Accurate calculation of the elastic scattering properties of ^7Li atoms at ultralow temperatures 下载免费PDF全文
The elastic scattering properties for collisions between two ^7Li atoms are investigated in the cold and ultracold regimes separately. Based on recent theoretical and experimental results, we present the improved hybrid potentials for the singlet X^1 ∑g^+ and triplet a^3 ∑u^+ ground states of the Li2, Our calculated values for the scattering lengths α and the effective ranges re are compared with previous ones, and found them to be in good agreement. The scattering lengths are 34.6α0 for the singlet state and -27.6α0 for the triplet state. Shape resonances occur in the collisions at low energies. We also calculate the total cross sections and the energy positions of shape resonances for both X^1 ∑g^+ and a^3 ∑u^+ states. 相似文献
12.
基于R矩阵理论方法,通过构建BeCl_2分子的静态交换势模型(SE),静态交换加极化势模型(SEP)和密耦合模型(CC),在0-10 eV能量范围内首次研究了低能电子与BeCl_2分子的散射动力学过程,预测了弹性散射积分截面,并在三种模型中分别发现一个来自B_(2u)和B_(3u)对称性贡献的势形共振态.讨论了这些共振态随着极化效应的变化,获得了收敛的截面和共振态结果.进一步使用POLYDCS程序首次计算了电子与BeCl_2分子的散射微分截面(DCS)以及动量转移截面(MTCS).当前研究结果将为天体物理和等离子体物理提供重要的截面数据. 相似文献
13.
Elastic electron scattering on the exotic light nucleus28S is investigated in the plane wave Born approximation. The variation of the squared form factors of28S with momentum transfer is compared with that of32S. It is found that the behavior of the form factors near the second minimum (with a moderate momentum transfer) is sensitive
to the alteration of the charge density distribution of halo protons in28S. This indicates that elastic electron scattering can be a good probe of the structure of proton-halo nuclei. 相似文献
14.
XinWen Ma XiaoLong Zhu HuiPing Liu Bin Li ShaoFeng Zhang ShiPing Cao WenTian Feng ShenYue Xu 《中国科学G辑(英文版)》2008,51(7):755-764
The principle and technique details of recoil ion momentum imaging are discussed and summarized. The recoil ion momentum spectroscopy
built at the Institute of Modern Physics (Lanzhou) is presented. The first results obtained at the setup are analyzed. For
30 keV He2+ on He collision, it is found that the capture of single electron occurs dominantly into the first excited states, and the
related scattering angle results show that the ground state capture occurs at large impact parameters, while the capture into
excited states occurs at small impact parameters. The results manifest the collision dynamics for the sub-femto-second process
can be studied through the techniques uniquely. Finally, the future possibilities of applications of the recoil ion momentum
spectroscopy in other fields are outlined.
Supported by the National Natural Science Foundation of China (Grant No. 10434100) 相似文献
15.
在考虑分子内成键原子间的电子云重叠效应的基础上,提出了一种能够在中、高能区准确计算“电子-分子”散射总截面的修正势方法.利用可加性规则及Hartree-Fock波函数,使用这一修正过的复光学势,在30—5000eV内对电子被4个等电子(Z=18)分子(HCl,H2S,PH3和SiH4)散射的总截面进行了计算,并将理论计算值与实验结果及其他理论值进行了比较.结果表明,利用这一修正过的复光学势及可加性规则进行计算,所得理论值与实验结果更为接近.
关键词:
电子散射
总截面
可加性规则
束缚原子 相似文献
16.
WANG Zaijun & REN Zhongzhou'''' . Department of Physics Nanjing University Nanjing China . Center of Theoretical Nuclear Physics National Laboratory of Heavy-Ion Accelerator at Lanzhou Lanzhou China Correspondence should be addressed to Ren Zhongzhou 《中国科学G辑(英文版)》2004,47(1)
~~Probing proton halo of the exotic nucleus ~(28)S by elastic electron scattering~~ 相似文献
17.
Pt-CO分子1∑+态的π反馈键与拉曼光谱强度的量子化学研究 总被引:1,自引:0,他引:1
采用量子化学方法HF和B3LYP计算了Pt-CO的^1∑^+电子基态的电子结构屯Pt-C和C-O伸缩振动的拉曼光谱性质,计算结果表明d→2π反馈与Pt-C和C-O伸缩振动的频率相关。拉曼谱强度理论分析表明人射光频率显著影响计算Raman光谱强度。 相似文献
18.
运用耦合通道光学势方法计算了在中低能量下的电子与水分子碰撞弹性散射微分截面,其中靶的极化效应被包含在一个从头算的等价局域势中.随后将计算结果与实验值和其它理论计算结果进行了比较.结果显示这种计算方法对于电子与极化分子体系碰撞是非常适用的. 相似文献
19.
20.
薛思敏 《原子与分子物理学报》2015,32(6)
利用连续扭曲波方法(CDW)和初态程函近似-连续扭曲波方法(CDW-EIS)对质子碰撞电离氖原子 壳层随电离电子能量的单重和二重微分散射截面及总截面进行了计算,与实验数据进行了比较,详细分析了曲线结构,比较了模型之间的差异,研究了初态程函近似对单重和二重微分散射截面的影响,并对其内部碰撞电离机制进行了探讨.研究发现,初态程函近似对各壳层电离截面有较大影响,这种影响随着入射质子能量的增大而越来越小. 相似文献