关于HBr分子爱因斯坦自发辐射系数的一种理论计算方法

采用双原子分子光谱参数计算程序LEVEL,分别选用目前最好的解析势能函数之一的Murrell-Sorbie函数和精确的RKR势,数值求解径向薛定谔方程,得到振转能级的本征能量和本征波函数。选用公开发表的最新的电偶极矩函数,计算得到了HBr分子X1Σ+态振动能级低于7时R和P支基频跃迁谱线的爱因斯坦自发辐射系数。     

HBr分子的爱因斯坦自发辐射系数的计算

本文从第一性原理出发,计算了ＨＢｒ分子ｖ≤７,Ｊ≤１４,Δｖ＝１,Ｒ,Ｐ支谱线的爱因斯坦自发辐射系数Ａ＾ｖ‘Ｊ’ｖ＾ｎＪ＾ｎ。测量了ＨＢｒ红外发射的振转谱线强度,证实由理论计算获得的Ａ＾ｖＪ’Ｖ＾ｎＪ＾ｎ系数是可靠的。     

HCl化学激光振转跃迁爱因斯坦自发辐射系数的计算

验证了用Level程序计算爱因斯坦自发辐射系数的可信性,选用精确的RKR势函数和最新的电偶极矩函数,计算得到了振动态量子数小于6的氯化氢激光基频振转跃迁的爱因斯坦自发辐射系数,更新了文献中的数据。结果表明Level是非常适合量子电子学同行使用的一个工具。     

HCl化学激光振转跃迁爱因斯坦自发辐射系数的计算

 验证了用Level程序计算爱因斯坦自发辐射系数的可信性,选用精确的RKR势函数和最新的电偶极矩函数,计算得到了振动态量子数小于6的氯化氢激光基频振转跃迁的爱因斯坦自发辐射系数,更新了文献中的数据。结果表明Level是非常适合量子电子学同行使用的一个工具。     

能量自洽法的建立以及对异核双原子分子的应用

介绍了一种研究双原子分子势能函数的新方法 -能量自洽法的建立、它的物理思想、它的部分应用成果     

曙光一号自由电子激光自发辐射放大的理论计算

曙光一号自由电子激光装置用自发辐射放大(ASE)机理,在毫米波波段测得了数百毫瓦的光信号输出。利用三维WAGFEL程序,结合曙光一号直线感应加速器型自由电子激光放大器参数,详细地分析了自发辐射放大的增益、输出功率随电子束的质量(包括束流能散度、流强、发射度等因素)的变化情况,给出了相应的定标关系;并且考察了摇摆场随机误差对自发辐射放大功率的影响。最后对自发辐射放大的实验结果进行了分析。     

一种推导二能级原子自发辐射方法

考虑真空涨落能量为负的特点,提出一个能够简洁描述原子与真空涨落相互作用的方程,得到原子处于激发态的概率随时间变化的关系,讨论了原子自发辐射的速率与真空涨落的强度的关系.     

一种计算剪切模量温度系数的方法

采用理论计算与动高压实验相结合的方法，提出了一个计算剪切模量温度系数G′T的新方法.首先用理论方法计算一个中间数据G(PS)，然后再与动高压实验数据G(PH)结合在一起计算出G′T,并针对93钨合金材料进行了计算.计算结果表明剪切模量温度系数G′T开始是随温度和压力变化的，但在高温高压下，它趋近于一常数.对于93钨合金，这个常数约为-004GPa／℃.同时，这也是对Steinberg本构模型中的剪切模量温度系数为常数的一个证明.并且，当把这一常数代入剪切模量温度系数的计算式中，将重新计算出的剪切模量与实验测得的剪切模量结果进行了比较，结果表明二者符合得很好，从而证明了本计算的剪切模量温度系数的正确性. 关键词： 有限应变物态方程 剪切模量温度系数 Steinberg本构模型 动高压实验     

线型分子势能函数及第二维里系数计算

本文以两中心的Lennard—Jones（2CLJ）流体为研究对象,通过引入与温度相关的势能参数,提出了改进型的2CLJDQP势能函数模型。应用此模型计算了乙烷（C2H6）、六氟乙烷（C2F6）、氟甲烷（CH3F）、氯甲烷（CH3C1）、1,1,1-三氟乙烷（CH3CF3）、二氟乙烷（CH3CHF2）的第二维里系数,较...     

Theoretical study of the structure and analytic potential energy function for the ground state of the PO2 molecule

In this paper, the energy, equilibrium geometry, and harmonic frequency of the ground electronic state of PO2 are computed using the B3LYP, B3P86, CCSD（T）, and QCISD（T） methods in conjunction with the 6-311＋＋G（3df, 3pd） and cc-pVTZ basis sets. A comparison between the computational results and the experimental values indicates that the B3P86/6-311＋＋G（3df, 3pd） method can give better energy calculation results for the PO2 molecule. It is shown that the ground state of the PO2 molecule has C2v symmetry and its ground electronic state is X2A1. The equilibrium parameters of the structure are Rp-o = 0.1465 am, ZOPO = 134.96°, and the dissociation energy is Ed = 19.218 eV. The bent vibrational frequency Ul = 386 cm-1, symmetric stretching frequency v2 = 1095 cm-1, and asymmetric stretching frequency ua = 1333 em-1 are obtained. On the basis of atomic and molecular reaction statics, a reasonable dissociation limit for the ground state of the PO2 molecule is determined. Then the analytic potential energy function of the PO2 molecule is derived using many-body expansion theory. The potential curves correctly reproduce the configurations and the dissociation energy for the PO2 molecule.     

Decay distribution of spontaneous emission from atoms in one-dimensional photonic crystal

Spontaneous emission behavior from atoms (or molecules) in one-dimensional photonic crystal with a defect is investigated. Taken all the TE and TM modes into account, the normalized spontaneous emission rate of the atom is calculated as a function of the position of the atom in the crystal. Results for both nonabsorbing dielectric structure and absorbing dielectric structure are presented. With the increase of the thickness of the defect in which the atoms are embedded, the oscillations of the spontaneous emission rate versus the position of the atom become dense and the lifetime distribution becomes narrow and sharp. The PC effect may lead to the coexistence of both accelerated and inhibited decay processes.     

AlH分子结构与分析势能函数

本文运用群论及原子分子反应静力学方法,推导了 AlH分子的基态(X1Σ+)、第一激发态(A1Π)及第三激发态(C1S+)的电子态及相应的离解极限.并使用SAC/SAC-CI方法,采用D95 (d)、6-311g(d)和cc-PVTZ等基组对AlH分子的基态(X1Σ+)、第一激发态(A1Π)和第三激发态(C1S+)的平衡结构和谐振频率进行了几何优化计算.通过对三个基组的计算结果与实验结果的比较,得到cc-PVTZ基组是三个基组中最优基组的结论.使用cc-PVTZ基组,对AlH 分子的基态(X1Σ+)、第一激发态(A1Π)和第三激发态(C1S+)进行了单点能扫描计算,并给出了AlH的基态(X1Σ+)、第一激发态(A1Π) 和第三激发态(C1S+)的Murrell-Sorbie函数形式的电子态的完整势能函数,进而得到了AlH分子第一激发态(A1Π)的激发能较小的结论.     

Coherent control of spontaneous emission: Effect of counter-rotating terms

We study the coherent control of spontaneous emission in a driven three-level atomic system. In particular we consider the quantum interference effects including energy shifts due to the counter-rotating terms. We show that the quantum interference resulting from the energy shifts has great influence on the evolution of the atomic population and the spontaneous emission spectrum. This makes it feasible to observe the effect of the counter-rotating terms in the long time limit.     

Approximate analytic expressions for calculation of spontaneous emission spectra for a quantum well embedded in a planar microcavity

The control of spontaneous emission is one of important characteristics of a planar microcavity. The integrals in the spherical coordinate for TE and TM modes spontaneous emission spectra of a quantum well (QW) embedded in a planar microcavity are derived with new variables dependent on wavelength and Taylor series including the two polarizations of the vacuum field. The approximate expressions of spontaneous emission in QW planar microcavities are obtained. The approximate results show that spontaneous emission spectra agree well with that in the numerical integral for planar semiconductor microcavities, in which Fermi-Dirac distribution functions of electrons and holes are considered. The main contribution to the spontaneous emission, radiated into all direction, has been found.     

Modification of spontaneous emission from a five-level M-type atom in coupled cavity waveguide

We study the spontaneous emission spectrum of a five-level M-type atom driven by a microwave field, in which two upper levels are coupled by the same-coupled cavity waveguide reservoir to a lower level. The spectrum behavior presents a strong non-Lorentzian shape that originates from effective quantum interference in Markovian reservoir, in which the spectral line can be significantly enhanced and eliminated by adjusting the proper parameters of the system. However, for non-Markovian reservoir, it seems that the shape of emission spectrum is quite dependent on the geometry behavior of a coupled cavity waveguide.     

Radio-frequency control of spontaneous emission from a coherently driven multilevel atom

The spontaneous emission properties of radio-frequency(RF)-driven multilevel atomic systems with three different configurations are investigated in details. It is demonstrated that, due to the presence of the RF-induced coherence in the multilevel system, a few interesting phenomena such as spectral-line narrowing, spectral-line enhancement, spectral-line suppression, and fluorescence-quenching can be realized under realistic experimental conditions. By inspecting single-RF-driven, double-RF-driven, and triple-RF-driven atomic systems, we find that (i) when only one RF-driven field is applied, there are two fluorescence-quenching points and four spectral lines; (ii) in the case of applying two RF-driven fields, there are three fluorescence-quenching points and five spectral lines; (iii) when applying three RF-driven fields, there are four fluorescence-quenching points and six spectral lines; and (iv) as expected, when the atomic system coupled by N RF-driven fields, there will be N + 1 fluorescence-quenching points and N + 3 spectral lines. Interestingly enough, the spectral-line enhancement, the spectral-line suppression, and the selective cancellation of fluorescence-quenching can be well controlled just by appropriately modulating the intensities and frequencies of the applied RF fields, respectively. The proposed schemes can be achieved by use of RF-driven fields into hyperfine levels in rubidium atomic systems. These investigations may find applications in high-precision spectroscopy.