微扰论计算Varshni势的能级

用微扰论计算了双原子分子Varshni势的能级,并与光谱学中双原子分子能级的经验公式比较,结果十分吻合．     

Lie代数方法对SO2分子振动激发态的研究

利用Lie代数方法研究了SO2分子的振动激发态能谱,拟合30条光谱能级得到的RMS误差是1．66cm^-1,结果表明,所得到的分子Hamiltonian的代数展开式可以很好地再现实验能级,它预测了SO2分子振动总量子数达10的全部振动能级。     

用无波函数微扰论和Pade近似方法计算双原子分子振动能级

本文不仅利用无波函数微扰论推导出了双原子分子的非谱振动能级的理论公式，而且还利用双变量Ｐａｄｅ近似对ＨＣｌ＾３５分子的振动能级做了具体的数值计算，通过选取适当的势参数，理论计算值和实验结果符合得很好。     

Sn_2分子低电子态的势能曲线与光谱性质

利用内收缩多参考组态相互作用(icMRCI)方法和最大的相对论赝势基组,aug-cc-pV5Z-pp,构建了Sn_2分子11个三重态的势能曲线.得到10个束缚态的光谱常数(Re、ωe、ωexe、ωeye、Be、αe、βe和Te).求解双原子分子核运动的径向Schrdinger方程,获得了10个束缚态的全部振转能级.在J=0无转动时,针对每一振动态,计算了每个振动态的振动能级、惯性转动常数和离心畸变常数等分子常数.首次报导了在10000~24 000cm-1范围内Sn_2分子的8个可观测束缚态的势能曲线和光谱性质.     

锂分子低电子态振动能级和波函数的计算

以Morse势为模型势，在分立位置表象(DPR)中计算了Li2分子的态和态振动能级和波函数至量子数很高的振动态．结果表明，DPR方法是求解双原子分子体系能量算符本征值方程的一种简单而有效的方法．     

FGH应用于具有Murrel-Sorbie势的双原子分子振动能的计算

描述了用于求解薛定谔方程本征值和本征函数的一种极其简洁的数值变分方法.在此基础上,以Murrel-Sorbie势为模型势,用FGH法计算了HF分子在基态的振动能级和波函数.计算结果与实验观测值的比较表明,FGH法是求解双原子分子体系能量算符本征值方程的一种简单有效的方法.     

具有D_(3d)对称性构型的B_2H_6分子的Jahn-Teller效应与各向异性分析

依据Jahn-Teller(简写为J-T)效应理论与量子理论,利用群论和对称性分析的方法探讨具有D3 d对称性构型的B2H6分子的J-T效应及其相关问题。构建B2H6分子Eeg系统的电声耦合哈密顿量,利用么正平移变换将系统的哈密顿量分解为两部分,一部分是没有声子激发的哈密顿量,另一部分是有声子激发的哈密顿量。由此计算出Eeg系统的基态与激发态及其能量.结果表明:由于电声耦合作用的缘故,系统发生了J-T畸变,畸变导致在系统的势能面上形成了4个对称性为C2h的势阱.无论系统处在哪一个势阱中,系统原初二重简并的能级都将发生分裂,因此能级的简并性完全被消除.J-T畸变还导致B2H6分子从D3 d对称性降低到C2h对称性,同时B2H6分子的振动频率发生分解,而频率的分解致使B2H6分子的各向同性遭到破坏而呈现出各向异性.     

质量加权坐标系下水分子2种特殊振动模式的DVR计算

在质量加权坐标系下用离散变量表示(DVR)方案研究了H2O基电子态2种特殊振动模式的振动光谱.计算中应用多项式函数拟合从头算结果得到的内坐标系下的基态解析势能面,经坐标变换得到质量加权坐标系下的相应势能面.分子的哈密顿形式在质量加权坐标下给出.用H2O振动能级的计算验证算法的可行性,从而为二维多光子电离光电子能谱的模拟奠定理论基础.     

SO_2分子的532nm双光子激发及退激发过程

以纳秒Nd:YAG脉冲激光器的2倍频输出532nm激光作为激发源,采用双光子激发激光诱导色散荧光光谱方法对SO2分子第一激发带粒子的荧光辐射与碰撞弛豫相结合的复杂退激发过程进行了实验研究.结果表明,以215,337nm处荧光包络分别归属于C1B2,B1B1基振动能级到基电子态X1 A1不同振动能级的荧光跃迁,而425nm处荧光包络包既包含有a3B1基振动能级向基电子态X1 A1的荧光跃迁,同时还包含有C1B2基振动能级向A1 A2的荧光跃迁;由规则序列的实验数据可以计算出SO2分子相应电子态的对称振动和弯曲振动模式的基振动角频率及非谐性常数.所得结果对大气污染物SO2的探测及分子物理学研究具有重要意义.     

CO分子第一、二泛频吸收及灵敏波长计算

采用微扰理论对CO分子振动薛定谔方程进行了理论求解,得到了非谐振子势下的振动波函数及对应的能级能量.由此计算了CO分子基频吸收与第一、第二泛频吸收的相对强度比,以及各吸收带的灵敏吸收波长位置.计算结果与他人的实验结果符合得很好,检验了理论处理的正确性,也为CO气体的泛频吸收检测提供了理论依据.     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

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.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

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.     

Jane Eyre——A Feminist In The 19th Century

In the 19th century the society was controlled by men, and women were just appendants of them, they had not any rights and freedom. But Jane was an exception, she showed some characteristics of early feminist. Jane showed her characteristics of feminism in three aspects: rebellion, equality, and independence. These characteristics were helpful to her success, and feminism is the only way out for women of that time.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-