用人工神经网络计算双原子分子的键长

用神经网络反向传播算法计算了双原子分子的键长。采用二原子的Slater原子半径,Paul-ing电负性,在元素周期表中的主族数及周期数等作为特征变量,得到了神经网络的训练及预报结果。     

用李代数方法研究强激光场中双原子分子的多光子激发

组成系统哈密顿量的一组算子对易关系封闭,构成一个李代数.这组算子的统计平均值随时间的演化满足一个封闭的一阶线性微分方程组.讨论了有关物理量的统计平均值随时间的变化关系.     

原子与双原子分子间非弹性碰撞理论研究

用密耦方法研究了氦原子与氢分子非弹性碰撞，当入射原子能量为０．２５ｅＶ，０．４０ｅＶ和０．６０ｅＶ时，比较了不同的原子与分子间势函数计算得到的振动和转动激发截面。看到原子与分子间势对原子与分子碰撞截面的理论计算影响很大。     

原子-双原子分子体系碰撞诱导中的量子干涉效应

碰撞转动传能中存在量子干涉效应已经在静态池实验中被观测到,并且积分角也能被测量.但静态池掩盖了大量的实验信息,利用分子束实验可得到转动传能更准确的信息,进而得到影响干涉角的的具体因素.文中运用含时微扰的一级波恩近似理论和各向异性相互作用势,建立了原子-双原子分子(混合态)体系碰撞诱导转动能量传递中的量子干涉效应的理论模型,描述了观察和测量微分干涉角的方法,得到了微分干涉角与碰撞半径和碰撞速度间的关系,同时也得到了实验温度对微分干涉角的影响.此理论模型对于理解和进行分子束实验是非常重要的.     

双原子分子键长对振动热容量的影响

在低温下双原子分子的振动自由度对气体的热容量没有贡献，当温度高于双原子分子振动特征温度的时候，振动自由度才被激发，这个双原子分子的振动是对原子间相互作用的简谐近似。不过，文献中给出的简谐近似判据，都是力学结果，而且这些结果都是定性的。本研究给出统计物理判据：简谐近似的有效性是温度必须远低于分子键能特征温度。     

快电子与原子分子碰撞实验

 仅由原子分子体系本身的物理量决定.1935年,Bethe证明广义振子强度与光学振子强度之间有如下关系:f（E_j,q）=f⁰（E_j）+Aq²+Bq⁴+…,df（E,q）/dE=df⁰（E）/dE+Aq²+Bq⁴+…当q→0即高入射电子能量（T>>E）和0°散射角情况下,不管玻恩近似是否成立,都有:方程右边各物理量实验上都能测量.于是用快电子碰撞测量0°散射微分截面,即通过能量损失谱测量可得光学振子强度.     

快电子与原子分子碰撞实验

 原子分子结构是原子分子物理学的基本问题,光谱实验和碰撞实验是获得原子分子结构实验数据的基本方法.当前原子分子的激发态结构和碰撞动力学仍然是原子分子物理的最重要的前沿研究领域之一,特别是原子分子高激发态、原子超精细结构和原子团簇更是十分活跃.原子分子及离子的碰撞过程不仅与原子结构、分子结构及其状态密切相关,而且普遍存在于天体、星际空间、地球大气、等离子体以及化学反应过程中.因此这些碰撞过程的基本数据和实验技术对于能源项目、军事技术和许多学科的发展有着密切关系.这些学科包括核物理、凝聚态物理、材料科学、等离子体物理、空间物理、天体物理、化学物理、分子生物学等.     

气体分子碰撞的模型无关分析

本文纯粹基于统计平均的思想,模型无关分析导出了气体分子的碰壁数和平均碰撞频率.     

He同位素原子与HBr分子碰撞的微分截面

基于作者构造的He-HBr体系的各向异性势,采用密耦方法计算了³He,⁴He,⁶He和⁷He与HBr分子在碰撞能量分别为40和75meV时的微分截面,详细讨论了入射氦同位素对微分截面的影响.结果表明：在相同碰撞能量时,随着同位素氦原子质量的增加,总微分截面在0° 时的角分布逐渐增大,同一级衍射振荡极小值位置逐渐向小散射角方向移动;弹性与总非弹性截面交界角逐渐减小,总非弹性截面逐渐增加.碰撞能量越低,入射同位素He原子的 关键词： 同位素效应 微分截面 各向异性势 He-HBr体系     

Multiple Collisions of a Fast Mesic Atom with a Diatomic Molecule

Processes of ionization of the fast (μHe)⁺ mesic atom in multiple collisions with a diatomic molecule are examined. It is demonstrated that a consideration of molecule alignment can significantly increase the probability of mesic atom ionization. __________ Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 30–33, May, 2005.     

双原子分子在啁啾激光作用下的经典解离

采用辛算法及经典理论方法,计算了HF分子在啁啾激光作用下的经典解离,讨论了解离几率随激光强度的变化,以及在相同激光强度下,选取不同的振动态作为初始态时解离几率的变化.     

Closed-System Solution of the 1D Atom from Collision Model

Obtaining the total wavefunction evolution of interacting quantum systems provides access to important properties, such as entanglement, shedding light on fundamental aspects, e.g., quantum energetics and thermodynamics, and guiding towards possible application in the fields of quantum computation and communication. We consider a two-level atom (qubit) coupled to the continuum of travelling modes of a field confined in a one-dimensional chiral waveguide. Originally, we treated the light-matter ensemble as a closed, isolated system. We solve its dynamics using a collision model where individual temporal modes of the field locally interact with the qubit in a sequential fashion. This approach allows us to obtain the total wavefunction of the qubit-field system, at any time, when the field starts in a coherent or a single-photon state. Our method is general and can be applied to other initial field states.     

Lie Algebraic Approach to Energy Transfer for Collinear Collision of Two Anharmonic Diatomic Molecules

An anharmonic oscillator algebra model is used to study the collinear collisions of two diatomic molecules. The transition probability for vibration-vibration energy transfer is presented. For an application of the method, we talk about the collision of N2＋CO, N2＋O2, and N2＋N2. Through long time averaging, the transition probability changes to the function of total energy of the system. Comparing the results with the quantum results, we can see that the dynamical Lie algebraic method is useful for describing the anharmonie diatomic molecular collision.     

NO分子和氧原子的高分辨离子谱实验研究

共振增强多光子电离及飞行时间质谱技术是一种具有高分辨率、高灵敏度的光谱研究技术。利用上述技术研究了由激光光解NO2产物-NO与原子O的离子谱,获得了振转态高度分辨的NO(X^2П,v″,J″)γ(0,0)γ(0,1)γ(1,1)带的离子谱以及自旋-轨道精细能级分辨的氧原子O(2P^3PJ^″=2,1,0)离子谱。氧原子O(2P^3PJ^″=2→3P^3PJ^″、2P^3PJ^″=1→3P^3PJ′、2P^3PJ″=0→3P^3PJ′)的离子信号位于紫外电离探测激光的波长分别为225．65nm,226．04nm,226．23nm。实验表明,共振增强多光子电离加飞行时间技术研究原子、分子光谱其灵敏度与分辨率远高于常用的激光感生荧光方法。所得到的NO分子与氧原子的离子谱及它们的离子信号对NO2分子光解及NO分子与氧原子的电离动力学研究提供了有益的实验信息。     

Investigation of Angular Dependence of Strong-Field Tunneling Ionization for Asymmetric Diatomic Molecule HeH2+

We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH²⁺ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schrödinger equation with B-spline basis. Then the angular dependence of strong-field ionization rates of HeH²⁺ are investigated with the molecular tunneling ionization theory. We show that the shape of several lowly excited states (i.e. 2pσ ,2pπ ,3dδ ) for HeH²⁺ are reflected in the orientation dependent ionization rates very well, however, the angle-dependent ionization rate fails to follow the angular distribution of the asymptotic electron density for the ground state 1sσ . We also show that the internuclear distance dependent ionization probabilities are in a good agreement with the more accurate result obtained from the numerical solution of the time-dependent Schrödinger equation.     

Time Delay of Slow Electrons by a Diatomic Molecule Described by Non-Overlapping Atomic Potentials Model

Journal of Experimental and Theoretical Physics - The Wigner time delay in the processes of elastic scattering of slow electrons by two-atomic molecule has been studied within the frame of...     

Investigation of Angular Dependence of Strong-Field Tunneling Ionization for Asymmetric Diatomic Molecule HeH~(2+)

We determine the structure parameters for the asymmetric heteronuclear diatomic molecule HeH 2+ at several internuclear distances with the molecular wavefunctions obtained by solving the time-independent Schr¨odinger equation with B-spline basis.Then the angular dependence of strong-field ionization rates of HeH 2+ are investigated with the molecular tunneling ionization theory.We show that the shape of several lowly excited states(i.e.2pσ,2pπ,3dδ) for HeH 2+ are reflected in the orientation dependent ionization rates very well,however,the angle-dependent ionization rate fails to follow the angular distribution of the asymptotic electron density for the ground state 1sσ.We also show that the internuclear distance dependent ionization probabilities are in a good agreement with the more accurate result obtained from the numerical solution of the time-dependent Schro¨dinger equation.     

SnO2/CeO2表面反应速率方程和分子反应几率

介绍了反应温变测试装置原理及其实验规律,利用粉末溅射平面薄膜型SnO2/CeO2酒敏传感器测试了反应温变;并用内插法给出了反应温变随酒气气体浓度变化的规律.对表面反应速率方程进行了推导,并对分子表面反应的几率进行了计算.给出了普遍的反应速率方程,它包括了两种常用的经验公式:双曲线型和幂函数型公式;同时得到了分子反应几率是小的概念,其值一般为10-3～10-5.     

Entropies and IPR as Markers for a Phase Transition in a Two-Level Model for Atom–Diatomic Molecule Coexistence

A quantum phase transition (QPT) in a simple model that describes the coexistence of atoms and diatomic molecules is studied. The model, which is briefly discussed, presents a second-order ground state phase transition in the thermodynamic (or large particle number) limit, changing from a molecular condensate in one phase to an equilibrium of diatomic molecules–atoms in coexistence in the other one. The usual markers for this phase transition are the ground state energy and the expected value of the number of atoms (alternatively, the number of molecules) in the ground state. In this work, other markers for the QPT, such as the inverse participation ratio (IPR), and particularly, the Rényi entropy, are analyzed and proposed as QPT markers. Both magnitudes present abrupt changes at the critical point of the QPT.