菊糖同分异构体活性的密度泛函研究

采用密度泛函(DFT)中B3LYP方法,在6-311+G(d,p)基组水平上对葡萄糖、吡喃型果糖、呋喃型果糖、D-万寿菊糖进行了几何构型优化、频率分析、红外光谱、自然电荷布居、NBO分析、分子能量及前线轨道能级计算,推导出分子的稳定性顺序为:呋喃型果糖吡喃型果糖葡萄糖菊糖.引入概念DFT活性指数分析表明菊糖分子的化学势μ数值大、化学硬度η小、亲电指数ω大,表明了它具有特殊的活性.Fukui指数扫描表明菊糖分子中C2原子具有较大的给电子能力,是整个分子的活性中心.抗氧化能力的EBDE数值计算表明2-H最容易断裂,其数值是为94.65 kcal·mol-1,远小于它的绝热电离势,这可为解释菊糖分子的抗氧化活性做合理的理论指导.     

Localization and the interface between quantum mechanics, quantum field theory and quantum gravity II: The search of the interface between QFT and QG

The main topics of this second part of a two-part essay are some consequences of the phenomenon of vacuum polarization as the most important physical manifestation of modular localization. Besides philosophically unexpected consequences, it has led to a new constructive “outside-inwards approach” in which the pointlike fields and the compactly localized operator algebras which they generate only appear from intersecting much simpler algebras localized in noncompact wedge regions whose generators have extremely mild almost free field behavior.Another consequence of vacuum polarization presented in this essay is the localization entropy near a causal horizon which follows a logarithmically modified area law in which a dimensionless area (the area divided by the square of dR where dR is the thickness of a light-sheet) appears. There are arguments that this logarithmically modified area law corresponds to the volume law of the standard heat bath thermal behavior. We also explain the symmetry enhancing effect of holographic projections onto the causal horizon of a region and show that the resulting infinite dimensional symmetry groups contain the Bondi–Metzner–Sachs group. This essay is the second part of a partitioned longer paper.     

Incoherent control of two classes of finite-level quantum systems

The incoherent control of finite-level quantum systems is investigated.Following a brief introduction to coherent control paradigms in quantum control,a control problem that can not be accomplished using only coherent control is presented.For such a control problem,it is proved that it can be accomplished using incoherent control based on projective measurement and coherent control for two classes of finite-level quantum systems,i.e.,eigenstate controllable quantum systems and wavefunction controllable quantum systems.     

通过粒子重排序实现量子安全直接通讯

量子安全直接通讯是对秘密信息的直接通讯,而不需要先制造一个分享的密钥.这种方案可以用于一些紧急的情况.利用粒子重排序的方法来实现量子安全直接通讯.此方案无需进行幺正操作,比ping-pong协议更为简便.而且该方案被证明在理想信道中是安全的.     

小分子势能面及其量子动力学研究

简要介绍了原子与分子物理研究所,近几年来在小分子势能面、量子散射动力学和弱相互作用聚合物光谱等方面的理论研究.     

解析角变量量子化的困难

目的分析量子力学中角变量量子化的困难。方法采用列举,分析及归纳法进行论证。结果角变量量子化遇到难以解决的困难。结论在现有量子理论基础上,角变量量子化无法解决。     

基于EPR对的多方量子秘密共享方案

利用Einstein-Podolsky-Rosen(EPR)对提出一个多方秘密共享方案,该方案不需要贝尔测量。每个EPR对代表Alice想要传送的一个秘密信息。先前的接收者在每个粒子上随机地执行一个任意的幺正操作,相当于用一个随机的密钥加密粒子,确保了这个方案的安全性。     

基于初等变换的量子码构造

为了探讨一般量子稳定子码的简单构造方法,在满足对偶包含条件C⊥(C)C的约束下,提出了从一类量子稳定子码C= [[N,K,D]]q到量子稳定子码C'=[[N-1,K+1,D']]q的基于矩阵初等变换的构造方法.该方法的优点在于码字构造时,量子稳定子码和经典纠错码都是在Fq上进行操作,无须做Fq2到Fq上的映射转换,也无...     

共振QED腔中无需Bell基测量N个量子比特GHZ态的传输

在共振QED腔中,设计了一个传输N个量子比特GHZ态的方案。通过选择合适的哈密顿量,无需Bell基测量,就可以实现从原子A到原子B的量子隐形传态。当然,在传输过程中要求的是选择好腔与原子的作用时间。     

Operational properties and matrix representations of quantum measures

Denoted by M(A), QM(A) and SQM(A) the sets of all measures, quantum measures and subadditive quantum measures on a σ-algebra A, respectively. We observe that these sets are all positive cones in the real vector space F(A) of all real-valued functions on A and prove that M(A) is a face of SQM(A). It is proved that the product of m grade-1 measures is a grade-m measure. By combining a matrix M _μ to a quantum measure μ on the power set A _n of an n-element set X, it is proved that μ ≪ ν (resp. μ ⊥ ν) if and only if M _μ ≪ M _ν (resp. M _μ M _ν =0). Also, it is shown that two nontrivial measures μ and ν are mutually absolutely continuous if and only if μ·ν∈QM(A _n ). Moreover, the matrices corresponding to quantum measures are characterized. Finally, convergence of a sequence of quantum measures on A _n is introduced and discussed; especially, the Vitali-Hahn-Saks theorem for quantum measures is proved.