Differential Interference Angle of Collision-induced Rotational Energy Transfer in Na_2(A^1∑_u^+,v=8-b^3∏_(0u),v=14)-Na System

Here wc report calculation of the differential interference angles （including b≤p gild b≥p ） for singlet-triplet mixed states of Na2（A^1∑u^＋,ν=8-b^3∏0u,ν=14） system in collision with Na, in order to study the collision- induced quantum interference on rotational energy transfer in an atom-diatom system. The calculation is based on the first-order Born approximation of time-dependent perturbation theory, and the anisotropic Lennard-Jones intcraction potentials are also employed, The relationships between differential interference angle and impact parameter, including collision diameter and velocity, are obtained,

Collisional quantum interference on rotational energy transfer： physical interpretation of the differential interference angle

Collisional quantum interference （CQI） on the intramolecular rotational energy transfer is observed in an experiment with a static cell, and the integral interference angles are measured. To obtain more accurate information, an experiment with a molecular beam is carried out, and thereby the relationship between the differential interference angle and the scattering angle is obtained. Based on the first-Born approximation of time-dependent perturbation theory, the theoretical model of CQI is developed in an atom-diatom system in the condition of the molecular beam, with the long-range interaction potential taken into account. The method of measuring correctly the differential interference angle is presented. The tendencies of the differential interference angle changing with the impact parameter and rel- ative velocity are discussed. The theoretical model presented here is important for understanding or performing the experiment in the molecular beam.

The differential interference angle in collisional quantum interference on rotational energy transfer

Collisional quantum interference （CQI） in the intramolecular rotational energy transfer was observed in experiment by Sha and co-workers. The interference angle, which measuring the degree of the coherence, were measured in the experiment of the static cell. Based on the first Born approximation of time dependent perturbation theory, taking into accounts the anisotropic Lennard-Jones interaction potentials, this paper describes the theoretical model of CQI in intramolecular rotational energy transfer in an atom-diatom collision system. In the model, the differential interference angle for the experiment of the molecular beam is calculated, the changing tendencies of the differential interference angle with the impact parameter and collision partners are obtained. This theoretical model is important for understanding or performing this kind of experiments.

Interference Angle on Quantum Rotational Energy Transfer in Na+Na_2 (A^1Σ_u^+,v = 8～b^3Π_(Ou), v = 14) Molecular Collision System

In order to study the collisional quantum interference （CQI） on rotational energy transfer in atom-diatom system, we have studied the relation of the integral interference angle and differential interference angle in Naq-Na2 （A1 ∑u^＋,v=8-b^3∏0u,v=14） collision system. In this paper, based on the first-Born approximation of timedependent perturbation theory and taking into accounts the anisotropic effect of Lennard-Jones interaction potentials, we present a theoretical model of collisional quantum interference in intramolecular rotational energy transfer, and a relationship between differential and integral interference angles.

Collisional Quantum Interference on Rotational Energy Transfer： Relation Between Integral Interference Angle and Rotational Quantum Number in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14）-Na System

Collisional quantum interference （CQI） on rotational energy transfer was observed in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14） system in collision with Na [Chem. Phys. Lett. 318 （2000） 107], and the degree of the interference was measured. The integral interference angle was obtaJned through theoretical calculation. We will research the factors that have effect on collisional quantum interference on rotational energy transfer in Na2（A^1∑u^＋,ν=8～b^3∏0u,ν=14）-Na system. Basing on the time-dependent first order Born approximation, and taking into account the anlsotroplc Lennard Jones interaction potentials and ＂straight-line＂ trajectory approximation, we obtain the factors that have effect on CQI in Na2-Na system, and obtain the relation between the integral interference angle and rotational quantum number.

The differential interference angle of ~2Π [Case(a)] diatom on rotational energy transfer in NO (X^2Π ) collision with He,Ne and Ar system

To study theoretically the relationship between the differential interference angle and the scattering angle in collisional quantum interference （CQI）, we have investigated the differential interference angle of the atom-diatomic [case（a）] molecule system in detail. For the 2∏ electronic state in Hund＇s case （a）, the degree of the differential interference is also discussed. The differential interference angles of NO（X^2∏） are calculated quantitatively for the rotational energy transfer in Hund＇s case （a） induced by collision with He, Ne and Ar atoms. The method to calculate the differential interference angle is presented. Several factors that affect the differential interference angle are investigated. Finally the variation of the differential interference angle with the impact parameter and relative velocity is discussed.

Further Study of A-Related Quantum Interference of H-State Diatomic on Collision-Induced Rotational Energy Transfer

In our previous theoretical studies [Meng-Tao Sun, Yong-Qing Lee, and Feng-Cai Ma, Chem. Phys.Left. 371 （2003） 342], we have reported the quantum interference on collision-induced rotational energy transfer on CO （A ^1 Π,v = 3） with inert gases, which originates from the difference between the two A-related collision potential energy surfaces. The interference angle, which measures the degree of coherence, is presented in this paper. Based on the time-dependent first order Born approximation, taking into account the anisotropic Lennard-Jones interaction potentials, the relation of the interference angle with the factors, including experimental temperature, partner, and rotational quantum number, are obtained. The changing tendencies with them are discussed. This theoretical model is important to understanding and performing this kind of experiment.

∧-related Quantum Interference of ^2П [Case（a）] Diatom on Rotational Energy Transfer

To study theoretically the relationship between the integral interference angle and the scat- tering angle in collisional quantum interference, the integral interference angle of atom- ^2П[case（a）] diatomic molecules system is described. To simulate the experiment theoretically, the theoretical model on collision-induced rotational energy transfer in an atom- ^2П[case（a）]diatom system is presented based on the first order Born approximation taking into account of the long-range interaction potential. For the ^2П electronic state in the Hund＇s case（a） diatom, the degree of the interference is discussed. The interference angles of collision-induced rotational energy transfer of CN（A^2П） in Hund＇s case（a） with He, Ne, and Ar are calculated quantitatively. The key parameters in the determination of integral interference angles are obtained.

Collision-induced Rotational Energy Transfer in an Atom-Diatom System

As a further theoretical study of the collision-induced quantum interference on rotational energy transfer in an atom-diatom system, based on the first-Born approximation of time-dependent perturbation theory, taking into account the anisotropic Lennard-Jones interaction potential and the long-range interaction potential, the differential interference angles in singlet-triplet mixed states of CO A^1Π（v=9）-e3∑-（v=1） system in collision with He, Ne, Ar, and other partners were calculated theoretically. The relationships of differential interference angle versus impact parameters, including collision parameter b and velocity, are obtained.

Relationship Between Differential Interference Angle and Parameter of Experiment in Molecular Beam

Collisional quantum interference （CQI） was observed in the intramolecular rotational energy transfer in the experiment of the static cell, and the integral interference angles were measured. To observe more precise information, the experiment in the molecular beam should be taken,from which the relationship between the differential interference angle and the scattering angle can be obtained. In this paper, the theoretical model of CQI is described in an atom-diatom system in the condition of the molecular beam, based on the first-Born approximation of time-dependent perturbation theory, taking into accounts the long-range interaction potential. The method of observing and measuring correctly the differential interference angle is presented. The changing tendency of the differential interference angle with the impact parameter and relative velocity is discussed. The changing tendencies of the differential interference angle with the parameter of experiment in the molecular beam, including the impact parameter and the velocity are discussed. This theoretical model is important to understand or perform the experiment in the molecular beam.

Near Resonant Electronic and Rotational Energy Transfer AB（^1∏, J）＋C（^slj）→AB（^1∏, J＇）＋C（^sl j＇）

In our previous theoretical study, the theoretical model of thecollision-induced electronic and rotational energy transfer of AB(~1Σ, J) + C(~sl_j) → AB(~1Σ,J′) + C(~sl_(j′)) was presented. To further study the collision-induced electronic and rotationalenergy transfer theoretically on AB( ~1Π, J) + C(~sl_j) → AB( ~1Π, J′) + C(~sl_(j′)), atheoretical model is presented, based on the time-dependent first-order Born approximation, takinginto account the anisotropic Lennard-Jones interaction potential and 'straight-line' trajectoryapproximation. The changing tendency of the transitional probabilities with the anisotropicparameter is discussed.

转动传能中的量子干涉——干涉角和转动量子数的关系

沙国河等人在CO(A1∏(v=0)～e3∑-(v=1))体系与He, Ne 和Ar碰撞诱导转动传能中首次观测到了量子干涉效应,并测量了干涉度.从理论上进一步研究原子-双原子分子体系碰撞诱导转动传能中量子干涉效应与转动量子数以及能量间隔的关系是十分必要的.我们考虑长程相互作用势,应用一级玻恩近似和直线轨迹近似,分别计算了CO(A1∏(v=0)～e3∑-(v=1))体系和He, Ne,Ar碰撞诱导转动传能中不同转动量子数以及不同能量间隔下的干涉角,得到了干涉角随转动量子数和能量间隔的变化趋势.这些结果对设计、分析这种类型的实验有一定的指导意义.

Π态双原子分子Λ分裂引起的量子干涉

为了从理论上解释Sun等在CO(A1 Π ,v =3 )和He碰撞实验中转动传能截面的反常现象 ,考虑一级含时波恩近似、长程相互作用势和直线轨道近似 ,建立了Π态双原子分子由于Λ分裂引起量子干涉的理论模型 .运用这一理论模型 ,成功的解释了实验中碰撞伴为He时转动传能截面的反常现象 :σε→ε′△J =0 <σε→ε′△J =± 1 .首先介绍了碰撞诱导转动传能中量子干涉效应的研究进展 ,然后建立了Π态双原子分子由于Λ分裂引起量子干涉的理论模型 。

深入理论研究碰撞转动传能量子干涉效应的微分干涉角(英文)

分子内部转动传能的静态池实验观察到了碰撞量子干涉效应(CQI),并且测得积分干涉角,为了获得更加精确的分子内部转动传能的碰撞量子干涉效应信息,实验就必须要采用分子束实验进行.本文理论上采用各项异性相互作用势,应用含时微扰理论的一级波恩近似,假想在分子束实验的条件下,建立在原子—双原子分子体系中碰撞量子干涉的理论模型.理论上推导出微分干涉角具体表达式,通过计算定性地讨论了微分干涉角随着碰撞参数、速率等的变化趋势,同时初步探讨了实验的正确观测途径,得出了采用分子束进行实验观测的实验方法,为进一步进行分子束实验提供了理论基础,对实验的进行起到了一定的借鉴作用.

Na_2(A^1∑_u^+,v=8～b^3∏_(0u),v=14)-Na体系转动传能的碰撞量子干涉效应(英文)

沙国河及其工作组于1995年发表了COA1∏(v=0)～e3∑-(v=1)与He,Ne及其它碰撞伴的碰撞过程中转动传能的碰撞量子干涉现象,并得到了积分干涉角,陈等从理论和实验上发现了Na2(A1∑u+,v=8～b3∏0u,v=14)体系与Na(3s)碰撞的碰撞量子干涉现象,孙等计算了其积分干涉角,但是对微分干涉角没有过多的计算.本文作为对原子-双原子体系碰撞诱导转动传能的进一步理论研究,在含时一级波恩近似的基础上考虑各向异性相互作用势和长程相互作用势,计算了单叁混合态的Na2(A1∑u+,v=8～b3∏0u,v=14)体系与Na碰撞的微分干涉角,并得到了微分干涉角与碰撞参数的关系,此理论模型对理解和进行分子束实验是非常重要的.

近共振电子态和转动能量传递AB(~1∑,J) +C(~sl_j)→AB(~1∑,J′) +C(~sl_(j′))(英文)

1995年沙等在静态池实验中观测到了碰撞诱导转动传能中的量子干涉效应，并且测量到了决定跃迁截面幅值的积分干涉角（J．Chem．Phys．，1995，102，2772）。同时，孙等在理论上计算了COA^1Ⅱ（υ=0）-e^3∑-（υ=1）与He，Ne以及其它碰撞伴的碰撞体系的积分干涉角，建立了相应的理论模型。然而，以前的研究都局限在碰撞伴通常被认为是没有结构的粒子，但是在碰撞过程中相互碰撞的两个粒子都有内部角动量，自旋一轨道相互作用又对反应速率起着非常重要的影响，同时也能够影响反应势垒的高度，因此这种近似忽略了碰撞伴原子对整个碰撞体系得影响，基于这种考虑，在这篇文章中我们从理论上研究AB（^1∑，J）＋C（^slj）→AB（^1∑，J′）＋C（^slj′）的碰撞诱导的电子态和转动态的能量传递，应用一级含时波恩近似、各向异性L-J相互作用势和直线轨迹近似，建立了理论模型，并讨论和比较了在近共振电子态和非共振电子态两种情况下的振动传能的跃迁几率。

1~Π态双原子分子中关于Λ量子干涉的微分干涉角(英文)

Sha等在静态池实验中观察到了转动能量转移中的碰撞量子干涉,并且计算了决定跃迁散射截面的积分干涉角(J.Chem.Phys.,1995,102:2772).由于积分干涉角是微分干涉角的平均效应,为了得到更精确的信息,进行了分子束实验.作者文运用含时微扰的一级波恩近似理论,提出了衡量干涉程度的1П态双原子分子中关于Λ量子干涉的微分干涉角.利用各向异性相互作用势计算了其干涉角.得到分子束实验中微分干涉角随实验参数,包括实验温度、碰撞伴、作用距离和转动量子数变化的关系.并且讨论了影响干涉角的各种参数.此理论模型对理解和进行分子束实验是非常重要的.

CN(X^2Π)分子系统碰撞诱导转动传能实验的理论解释(英文)

在以前的研究中,已经对Λ分裂引起的CN(X2Π)与惰性气体碰撞诱导转动传能中的量子干涉效应进行了研究.在此基础之上,本文讨论了在洪德情况(a)2Π电子态下,微分干涉角.在含时一级波恩近似下,考虑各向异性相互作用势,以及影响干涉角的各个因素(实验温度、碰撞伴、转动量子数等),定量计算了原子-双原子分子系统的微分干涉角.研究了影响微分干涉角的各个因素,讨论了微分干涉角随碰撞伴及速度的变化趋势.

AB(~1∏,J)+C(^(s_1)l_(1j_1))→AB(~1∏,J′)+C(^(s_1)l_(1j_1)′)+C(^(s_2)l_(2j_2)′)电子和转动传能的电子量子干涉(英文)

在我们以前的理论研究中,给出了AB(1∏,J)+C(sli)→AB(1∏,J′)+C(slj′)碰撞诱导电子和转动传能的理论模型.为了进一步在理论上研究AB(1∏,J)+C(s1l1j1)→AB(1∏,J′)+C(s1l1j1′)+C(s2l2j2′)的电子和转动传能的电子量子干涉,以波恩奥本海默近似为基础,考虑各项异性Lennard-Jones相互作用势,给出了其理论模型.得出了衡量干涉程度的干涉角,对完全干涉的情况进行了讨论,得出了决定几率比的因素,此理论模型对理解和进行这种类型的实验是很重要的.

AB(~1∑,J)+C(^(S_1)l_(1i_1))→AB(~1∑,J′)+C(^(S_1)l_((1j_1)′))+C(^(S_2)l_((2j_2)′))中电子传能与转动传能的量子干涉(英文)

本文为了进一步在理论上对AB(~1∑,J)+C(^(S_1)l_(1i_1))→AB(~1∑,J′)+C(^(S_1)l_((1j_1)′))+C(^(S_2)l_((2j_2)′))的转动传能量子干涉进行研究,提出了理论模型,此模型对理解和进行实验是非常重要的.在含时一级波恩近似的基础上,考虑各向异性相互作用势,推导出衡量干涉程度的干涉角,并讨论完全干涉的情况,得到影响几率比的因素.