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国家自然科学基金(11304185)

作品数:6 被引量:1H指数:1
相关作者:李健马凤才更多>>
相关机构:沈阳航空航天大学辽宁大学内蒙古大学更多>>
发文基金:国家自然科学基金中国博士后科学基金更多>>
相关领域:理学电子电信化学工程更多>>

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Ionization in an intense field considering Coulomb correction
2017年
We derive a simple ionization rate formula for the ground state of a hydrogen atom in the velocity gauge under the conditions:ω<<1 a.u.(a.u.is short for atomic unit) and γ<<1(ω is the laser frequency and y is the Keldysh parameter).Comparisons are made among the different versions of the Keldysh-Faisal-Reiss(KFR) theory.The numerical study shows that with considering the quasi-classical(WKB) Coulomb correction in the final state of the ionized electron,the photoionization rate is enhanced compared with without considering the Coulomb correction,and the Reiss theory with the WKB Coulomb correction gives the correct result in the tunneling regime.Our concise formula of the ionization rate may provide an insight into the ionization mechanism for the ground state of a hydrogen atom.
李健霍一宁唐增华马凤才
关键词:场电离原子基态天文单位电离率WKB
Filling gap of combination of gauge and analytical method in KFR-like theory
2020年
Bauer recently presented a formula for the ionization rate of a hydrogen atom in a strong linearly polarized laser field[J.Phys.B 49145601(2016)].He started from the Keldysh probability amplitude in the length gauge and utilized Reiss’s method in the velocity gauge.Instead,according to the Reiss probability amplitude in the velocity gauge and Keldysh’s derivation for the length gauge,we derive a formula for the ionization rate of a ground-state hydrogen atom or a hydrogenlike atom in a strong linearly polarized laser field.We compare the numerical results of the total ionization rate and the photoelectron energy distribution calculated from our formula with the results from Keldysh,Reiss,and Bauer.We find that the apparent discrepancies in the ionization rate are caused not only by different gauges,but also by different analytical methods used to derive the ionization rate.
李健马凤才
关键词:VELOCITYGAUGEIONIZATIONSPECTRA
NO Case(b)情况下的非弹性散射及Λ相关量子干涉的理解(英文)
2016年
在理论研究中,对洪德情况(a)下2Π态原子-双原子分子碰撞诱导转动传能中的量子干涉已经进行了研究.为了对Λ相关的原子-双原子分子碰撞系统进行更进一步的研究,建立了洪德情况(b)下原子-双原子分子动力学模型.讨论洪德情况(b)下双原子分子的干涉程度,对NO洪德情况(b)下与He、Ne、Ar碰撞的干涉角进行了定量计算.在含时一级波恩近似下,考虑各向异性相互作用势,讨论各个因素(实验温度、碰撞伴、转动量子数等)对干涉角的影响.
李健霍一宁马凤才
关键词:干涉角
LiS~n(n=-1,0,+1)体系~1Σ~+、~2Π态和~3Σ~-态的势能函数及光谱性质研究
<正>近年来,由于含硫分子对大气环境有着重要的影响而得到了大量的研究。为了更加深入地研究含硫分子的性质,构建其高精度的解析势能曲线是非常重要的,因为利用势能函数能够准确地计算分子的能量、几何特性、力学和光谱性质等[1]。...
曹恩张路路孟庆田宋玉志
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O+H2+体系反应动力学的研究
<正>O+H2+体系作为含氧反应的分支是星际化学和许多燃烧过程的关键,引起了人们的广泛关注。我们利用含时波包动力学理论[1-3]在H2O+基态势能面[4]上研究了O+H2+→OH+ +H反应的动力学性质。计算得到了体系在...
张媛高守宝孟庆田宋玉志
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O+(4S)+H2(X1∑g+)反应全维势能面的构建和反应动力学研究
O++H反应是星际云层重要的反应之一,构建其高精度的反应势能面是准确而又详细地研究HO+的性质及其微观反应机理的基础。本文构建了HO(XA")高精度的全维势能面,并在新构建的势能面利用准经典轨线方法研究了O+H反应。我们...
宋玉志张路路孟庆田
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S2分子a1△g和b1∑g+激发态的势能函数及光谱性质研究
近年来,由于S2分子对大气环境有着重要的影响而得到了大量的研究。为了更加深入地研究S2分子的性质,构建其高精度的解析势能曲线是非常重要的,因为利用势能函数能够准确地计算分子的能量、几何特性、力学和光谱性质等[1]。我们利...
张路路高守宝孟庆田宋玉志
A typical slow reaction H(~2S) + S_2(X^3-Σ_g^-) → SH(X^2Π)+S(~3P) on a new surface:Quantum dynamics calculations被引量:1
2014年
Quantum dynamics calculations for the title reaction H(2S) + S2(X3-Σg) → SH(X2Π) + S(3P) are performed by using a globally accurate double many-body expansion potential energy surface [J. Phys. Chem. A 115 5274(2011)].The Chebyshev real wave packet propagation method is employed to obtain the dynamical information, such as reaction probability, initial state-specified integral cross section, and thermal rate constant. It is found not only that there is a reaction threshold near 0.7 eV in both reaction probabilities and integral cross section curves, but also that both the probability and cross section increase firstly and then decrease as the collision energy increases. The existence of the resonance structure in both the probability and cross section curves is ascribed to the deep potential well. The calculation of the rate constant reveals that the reaction occurring on the potential energy surface of the ground-state HS2is slow to take place.
魏巍高守宝孙兆鹏宋玉志孟庆田
关键词:横截面
Novel potential energy surface-based quantum dynamics of ion–molecule reaction O^++ D_2→OD^++ D
2018年
According to a novel electronic ground-state potential energy surface of H_2O^+(X^4 A~''),we calculate the reaction probabilities and the integral cross section for the titled reaction O+^+ D_2→OD^++ D by the Chebyshev wave packet propagation method.The reaction probabilities in a collision-energy range of 0.0 e V–1.0 e V show an oscillatory structure for the O^++ D_2 reaction due to the existence of the potential well.Compared with the results of Mart′?nez et al.,the present integral cross section is large,which is in line with experimental data.
王宪龙高峰高守宝张路路宋玉志孟庆田
关键词:CHEBYSHEV不可分H2O
S+(4S)+H2(X1Σg+)反应体系全维势能面的构建及反应动力学研究
<正>H2S+是星际云层中重要的成分之一,构建其高精度的全维势能面并研究S++H2→SH++H反应的动力学过程具有重要的意义[1]。我们首先利用多组态相互作用方法和aug-cc-pVQZ基组计算了H2S+(X4A’’)的...
宋玉志张媛高守宝孟庆田
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