NMR中InS体系的交叉极化和各向同性混合

常规的积算符法不能获得自旋为１／２ＩｎＳ（ｎ≥２）体系的密度算符在交叉极化和各向同性混合过程随时间演化的解析解。作者提出用投影算符法解决此问题，并以Ｉ２Ｓ体系的交叉极化过程为列分析了获得无相位畸变和强度失真ＮＭＲ谱的方法。     

角动量投影算符的矩阵元与CG系数

利用大D函数的正交归一化关系和两个大D函数的耦合规则，以最简单的单粒子乘积波函数为例，给出了2个、3个乃至多个粒子波函数的角动量投影算符的矩阵元与CG系数的关系．论证了CG系数和积分两种角动量投影算符矩阵元计算方法的一致性和各自的优缺点，讨论了角动量投影算符矩阵元的性质．     

N^＋2的能级结构及振子强度的计算

按照离子型分子的空间对称性和自旋对称性以及离解度的大小，选择适当的组态函数，用投影算符消除其他多重态的污染，采用组态互作用法计算了Ｎ＾＋２的Ｘ＾２Σ＾＋ｇ态、Ｂ＾２Σ＾＋ｕ态和Ｃ＾２Σ＾＋ｕ的能量及第一，第二负带系的振子强度，计算值与实验值吻合。     

理想多自由度无相互作用费米气体系统的量子纠缠

对理想的具有自旋1/2和赝旋1/2两自由度费米气体系统的两体纠缠进行研究.结果表明:态空间的扩大,导致系统不超过4个费米子间的两体纠缠表现出类似于自旋1/2自由度的费米气体系统中两费米子间的纠缠分布,而完全不同于其对应的多个费米子间的约化两体纠缠分布;系统两费米子间纠缠存在的相对距离比单个自旋1/2自由度系统时增加了约1.7倍,并且由于两费米子间任一自由度的子纠缠始终为零,因此其中一个自由度的两费米子的子纠缠或量子关联来自于系统的相互作用.     

甲氧基取代的半醌自由基和质子超精细耦合常数的非限制Hartree-Fock计算

利用从头算非限制Hartree-Fock方法,分别计算了甲氧基取代的对一半醌和对一氢化半醌系列的不同组份的自旋密度,用经验的McConnell关系估算了电子自旋共振(ESR)实验测定的质子各向同性超精细分裂。结果表明,理论计算符合较好,经验的加和性规则不灵。为了解释醌环上两个相邻甲氧基取代基的ESR的异常测定值,必须考察溶剂效应。利用投影算符技巧讨论了有关解释得自非自旋本征态的非限制Hartree-Fock波函数的自旋密度的基本问题。得到的各体系的UHF波函数几乎全为纯的双重态。     

自旋S=3/2的轻子激发态

若轻子由3个自旋为1/2的亚夸克组成,则除了存在自旋S=1/2的轻子基态外,在受激情况下,也将出现S=3/2的激发态.两者的质量差与亚夸克构成轻子的对称性质及亚夸克与双夸克的相互作用势密切相关.     

Rashba效应影响下半导体量子点中强耦合极化子的声子平均数

采用改进的线性组合算符方法，研究了Rashba效应影响下半导体量子点中强耦合极化子的光学声子平均数．导出在电子-体纵光学声子（LO）强耦合时抛物量子点中极化子的光学声子平均数、振动频率、相互作用能和有效质量随受限强度和Rashba自旋-轨道耦合常数的变化．数值计算结果表明Rashba自旋-轨道相互作用使极化子的有效质量、基态能分裂为上下两支，随耦合常数的增加极化子基态能量、有效质量表现为增加和较少两种截然相反的情形；Rashba自旋-轨道相互作用影响下强耦合极化子的光学声子平均数随量子点的受限强度、电子声子耦合强度增大而增大，极化子的相互作用能随受限强度的增加先急剧增加，当达到极值后随受限强度的增加而急剧减少．     

HgBa2CaCu2O6+δ的内层电子激发能的密度泛函理论研究

运用相对论的自旋极化局域密度子数方法计算了HgBsa2CsaCu2O6＋δ的电子结构。得到的内层电子激发能基本上与X光电子谱一致，其中自旋－轨道劈裂值与实验符合得尤其好。     

自旋S＝3／2的轻子激发态

若轻子由3个自旗为1／2的亚夸克组成，则除了存在自旋S1／2的轻子基态外，在受激情况下，也将出现S＝3／2的激发态，两者的质量差与亚夸克构成轻子的对称性质及亚夸克与双夸克的相互作用密切相关。     

关于投影算符的教学研究

结合教学实际研究投影算符.阐述了投影算符的优越性,探讨了投影算符教学中程序教学法的运用以及引导学生开展研究性学习的方式,说明并强调了利用计算机处理量子力学计算的相关问题.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

Exciton Seebeck in Molecular Systems

Various applications relevant to the exciton dynamics,such as the organic solar cell,the large-area organic light-emitting diodes and the thermoelectricity,are operating under temperature gradient.The potential abnormal behavior of the exicton dynamics driven by the temperature difference may affect the efficiency and performance of the corresponding devices.In the above situations,the exciton dynamics under temperature difference is mixed with     

Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

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An on-line scaling method for improving scalability of a database cluster

The explosive growth of the Internet and database applications has driven database to be more scalable and available, and able to support on-line scaling without interrupting service. To support more client's queries without downtime and degrading the response time, more nodes have to be scaled up while the database is running. This paper presents the overview of scalable and available database that satisfies the above characteristics. And we propose a novel on-line scaling method. Our method improves the existing on-line scaling method for fast response time and higher throughputs. Our proposed method reduces unnecessary network use, i.e. , we decrease the number of data copy by reusing the backup data. Also, our on-line scaling operation can be processed parallel by selecting adequate nodes as new node. Our performance study shows that our method results in significant reduction in data copy time.     

An improved R-tree based on childnode''s probability

R-Tree is a good structure for spatial searching. But in this indexing structure,either the sequence of nodes in the same level or sequence of traveling these nodes when queries are made is random. Since the possibility that the object appears in different MBR which have the same parents node is different, if we make the subnode who has the most possibility be traveled first, the time cost will be decreased in most of the cases. In some case, the possibility of a point belong to a rectangle will shows direct proportion with the size of the rectangle. But this conclusion is based on an assumption that the objects are symmetrically distributing in the area and this assumption is not always coming into existence. Now we found a more direct parameter to scale the possibility and made a little change on the structure of R-tree, to increase the possibility of founding the satisfying answer in the front sub trees. We names this structure probability based arranged R-tree (PBAR-tree).     

Integrating GIS Web services based on mediating architecture

The geographic information service is enabled by the advancements in general Web service technology and the focused efforts of the OGC in defining XML-based Web GIS service. Based on these models, this paper addresses the issue of services chaining,the process of combining or pipelining results from several interoperable GIS Web Services to create a customized solution. This paper presents a mediated chaining architecture in which a specific service takes responsibility for performing the process that describes a service chain. We designed the Spatial Information Process Language (SIPL) for dynamic modeling and describing the service chain, also a prototype of the Spatial Information Process Execution Engine (SIPEE) is implemented for executing processes written in SIPL. Discussion of measures to improve the functionality and performance of such system will be included.