共查询到17条相似文献,搜索用时 156 毫秒
1.
2.
3.
低能电子与N2分子碰撞的振动共振激发散射截面的密耦合研究 总被引:3,自引:3,他引:0
使用经孙卫国教授改进后的振动密耦合散射方法和基于量子力学从头计算得到的静电、交换与极化散射作用势,研究了低能电子与N2分子的振动激发散射截面.研究表明在振动密耦合计算中使用18个振动波函数和12个分波数目,可以得到收敛的0→5,1→5等高激发散射的积分和微分截面. 相似文献
4.
5.
本文计算了电子与氮分子的球高斯分布极化势,并将其应用于氮分子的振动激发散射中,计算了共振区的微分散射截面,结果与最新的实验数据符合得很好,并优于其它的理论结果. 相似文献
6.
用最近改进的球高斯分布(distributed spherical Gaussian,DSG)极化势模型,在振动密耦合框架下和基于量子力学从头计算的静电势、交换势的基础上,研究了低能电子与H2分子碰撞振动激发的动量迁移散射截面(momentum transfer cross section,MTCS).通过包含18个振动波函数、5个分波和16个分子对称性,得到了0<E≤10 eV时收敛性很好的ν=0→ν'=0,1,2,3等几个振动跃迁通道和总的MTCS,并与其他实验和理论得到的值进行了比较和分析.
关键词:
2分子碰撞')" href="#">H2分子碰撞
动量迁移散射截面
振动激发
球高斯分布极化势 相似文献
7.
8.
严格交换势用于研究低能电子与H2分子的弹性和非弹性散射截面,线性代数方法和R-矩阵传播子相结合求解基于振动密耦合方法的积分-微分耦合方程组,由此得到收敛的(0→0,0→1,0→2)散射微分截面和积分截面.理论计算结果与目前优秀的实验值和其他理论计算值进行了比较,表明基于振动密耦合方程的严格交换势在低能电子与H2分子振动激发散射中有重要作用.
关键词:
严格交换势
2分子振动激发')" href="#">H2分子振动激发
微分截面
积分截面 相似文献
9.
10.
基于我们最近所构建的Ar+H+2→ArH++H(12A′)反应的新势能面,采用准经典轨线法研究了碰撞能分别为0.48,0.77,1.24 eV以及能量为0.48 eV时反应物不同振动态下Ar+H+2→ArH++H反应的立体动力学性质.结果显示在给定的碰撞能情况下,以及当反应物振动量子数由0变到2时计算的积分反应截面与实验值符合得较好.通过比较发现,碰撞能对此反应k-j′关联函数P(θr)分布的影响大于其受振动激发的影响,并且关于k-k′-j′三矢量相关的函数P(?r)分布以及极化微分反应截面对碰撞能较敏感,同时发现振动激发对P(?r)分布和极化微分反应截面也有较大的影响. 相似文献
11.
The differential cross-sections (DCS) of the low-energy electron–N 2 scattering are studied using the vibrational close-coupling (VCC) method and vibrational scattering potentials which include static, exchange and polarization contributions. The polarization is obtained based on the ‘better than adiabatic dipole’ (BTAD) and the ‘distributed spherical Gaussian’ (DSG) respectively. The converged (0 → 0, 0 → 1, 0 → 2, 0 → 3) DCS are obtained with the impact energies being the resonance's first two elastic scattering peaks?–?approximately 1.90 eV and 2.10 eV. Calculations from both polarization potentials agree with experimental results. 相似文献
12.
W. Dai W. G. Sun H. Feng L. Shen 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2006,39(3):385-389
The vibrational excitation differential cross-sections
(DCS) of low-energy electron-N2
scattering are studied using vibrational close-coupling (VCC) method and
vibrational scattering potentials which include static, exchange and
polarization contributions. By including the contributions of 18 partial
waves, 20 vibrational states, and 16 molecular symmetries (up to Λ=7), the converged vibrational excitation (0↦2, 0↦3, 0↦4)
DCS agree well with experimental results. Also obtained are converged
vibrational (1↦0, 1↦1, 1↦2, 1↦3) DCS, with the impact
energies being those of the main resonant peaks (1.92 eV, 1.90 eV, 1.62 eV,
1.63 eV). 相似文献
13.
High order Correlation polarization potential for vibrational excitation scattering of diatomic molecules by low-energy electrons
下载免费PDF全文
![点击此处可从《中国物理 B》网站下载免费的PDF全文](/ch/ext_images/free.gif)
This paper introduces a correlation--polarization potential
with high order terms for vibrational excitation in
electron--molecule
scattering. The new polarization potential generalizes the two-term
approximation so that it can better reflect the dependence of
correlation and polarization effects on the position coordinate of
the scattering electron. It applies the new potential on the
vibrational excitation scattering from N2 in an energy range
which
includes the 2Пg shape resonance. The good agreement of
theoretical resonant peaks with experiments shows that polarization
potentials with high order terms are important and should be
included in vibrational excitation scattering. 相似文献
14.
Y. Y. Zeng H. Feng W. G. Sun 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2012,66(1):4
Distributed spherical Gaussian (DSG) correlation-polarization model potentials with higher-order terms and exact exchange
effects in single-configuration Slater determinant are taken into account for low-energy vibrational excitation e-N2 scattering system. The integrodifferential coupled channel equations are solved using a combination of linear-algebraic and
R-matrix-propagator algorithms. Analytic Born completion is used to calculate high-order scattering matrix elements in order
to obtain convergent differential cross sections. The energy range is set to 4–15 eV which is not tested by the present theoretical
method before. The overall agreement of theoretical results with the latest experiments emphasizes the importance of higher-order
correlation-polarization potentials and rigorous exchange effects in vibrational excitation scattering. 相似文献
15.
M.J. Seong S. Francoeur S. Yoon A. Mascarenhas S. Tixier M. Adamcyk T. Tiedje 《Superlattices and Microstructures》2005,37(6):394-400
We have studied GaAs1−xBix (up to x3%) using Raman scattering with two different polarization configurations. Two Bi-induced phonon modes are observed at 186 cm−1 and 214 cm−1 with increasing Raman intensity as the Bi concentration increases. By comparing Raman selection rules for the observed Bi-induced phonon modes with those for the substitutional N vibrational mode (GaN mode) in GaAsN, the phonon mode at 214 cm−1 is identified as originating from substitutional Bi at the As site in GaAsBi. 相似文献
16.
17.
G. G. Rusina S. D. Borisova E. V. Chulkov 《Journal of Experimental and Theoretical Physics》2017,125(2):278-289
The submonolayer adsorption of Na onto the Cu(110) surface is studied. At small Na coverages (Θ = 0.16–0.25 ML), the substrate surface subjected to missing-row reconstruction (1 × 2) is shown to be most stable dynamically. When the coverage increases to Θ = 0.5 ML, the unreconstructed substrate surface with a c(2 × 2) sodium adlayer becomes dynamically stable. For an analysis, we used data on the equilibrium atomic configuration, the adsorption energy, the phonon spectra, the local density of phonon states, and the polarization of localized vibrational modes. All calculations were performed using the interatomic potentials obtained in terms of the embedded-atom method. The calculated frequencies of localized vibrational modes agree well with the existing experimental data. 相似文献