顺式聚乙炔中极化子电子态的研究

本文在反式聚乙炔分立模型的基础上,考虑到顺式聚乙炔中的孤子对间存在着吸引力.引入孤子对间的禁闭势,作为顺式聚乙炔的分立模型.对顺式聚乙炔中极化子的电子态的研究发现:电子晶格耦合常数λ=0.4,对不同的禁闭参数r.在导带、价带的顶部或底部存在四个新的电子局域态;λ=0.25,对不同的禁闭参数,能隙中的二个新的局域态不出现.它们均为浅局域态.本文结果支持了最近发现孤子新的电子局域态的结果.本文方法可推广到基态具有非简并的类似系统.     

链间耦合对聚乙炔中量子晶格涨落和空间结构稳定性的影响

在Ｓｕ－Ｓｃｈｒｉｅｆｆｅｒ－Ｈｅｅｇｅｒ（ＳＳＨ）哈密顿量的基础上，加上链间电荷转移项，考虑链间耦合对聚乙炔中量子晶格涨落和空间结构稳定性的影响。考虑了链间耦合作用后，不同的链间结构具有不同的能量。对于能量低的结构，链间耦合将导致孤子禁闭，从而抑制量子晶格涨落。对于能量高的结构，链间耦合将导致孤子扩散，从而加大量子晶格涨落。     

掺杂聚乙炔导电机理研究

本文以多烯(17个碳原子)模拟反式聚乙炔链,位于两个多烯链平面之间的钠原子为掺杂剂,用 CNDO/2方法讨论了掺杂聚乙炔的微观导电机理,尝试并分析了用轨道理论的离域方法处理定域问题的具体方法.在我们的计算方法及计算范围内、负电孤子借助于钠原子在两链间跃迂。在低量掺杂情况下,参考链上孤子的存在对这种跃迂起辅助作用;电荷密度、原子轨道布居、能量分割及沿分子轨道形状等的结果同样支持了这一结论.     

碘掺杂聚乙炔的正电子湮没谱和结构缺陷转变

本文研究了反式碘掺杂聚乙炔[CH(I_3)_y]_x在室温下正电子湮没寿命随掺杂浓度y的变化关系,发现y约在0.0025和0.043处寿命谱出现明显的突变.计算了杂质势和链间耦合积分.用链间耦合随掺杂浓度增强的概念,说明了出现上述两个突变的原因和主要元激发的转变,解释了磁化率随掺杂浓度变化的实验规律,讨论了三个区域的导电模型和电导率随温度的变化关系.     

掺杂反式聚乙炔中Site—type杂质势的唯象模型

利用ＳＳＨ模型讨论了Ｓｉｔｅ－ｔｙｐｅ杂质势对反式聚乙炔（ｔｒａｎｓ－ＰＡ）电子态的影响。具体计算表明：对各向同性情况，Ｓｉｔｅ－ｔｙｐｅ杂质势破坏了电子能谱的对称性，并使孤子能级发生移动，随着杂质离子与反式聚乙炔链间距的变化，它将引起孤子能级的变动。但不影响孤子局域化程度；而各向异性Ｓｉｔｅ－ｔｙｐｅ杂质势的不均匀性对ｔｒａｎｓ－ＰＡ的电子能谱及孤子局域化程度影响较大。     

氢键链中孤子对外场的响应

以二分量孤子的振子模型为基础，讨论了质子子晶格与重离子子晶格中扭结孤子形成的孤子对的运动及其孤子对外场的响应持性，并得到了氢键链中孤子对的迁移率表达式。     

聚乙炔的链端定域态

本文用格林函数研究了聚乙炔的链端附近的电子态.计算了链端为单键或双键时可能出现的链端定域态,其结果是:单键链端可形成链端定域态,其能级位于能隙中央,定域范围约为10个原子,实际上是一个链端孤子;双键链端则不存在这种定态域.     

一种可能的超导孤子通道：带有非对称双阱势的氢键链

证明了在带有非对称双阱势的有阻尼的氢键链中,当无外场时,也存在运动的扭结孤子激发,扭结和反结是成对出现并以相等相反的速度运动的,这预示这类氢键链将可能作为一种孤子型超导电通道讨论了扭结－反扭结对的平衡分布,推导出一条分子链所输运的超导电流     

e—e作用对聚乙炔中孤子运动的影响

将聚乙炔中电子的基态看作是它的相邻格点上电子的自旋取向相反的状态,借助一维反铁磁链模型来讨论电子的组态。将表示同一格点上自旋取向相反的电子间Hubbard作用与SSH哈密顿量之和作为电子与晶格系统的H,由此出发建立晶格振动位移与电子波函数所满足的非线性微分方程组,并对有限链求出近似解析解,用它讨论了晶格扭折的形状、半宽度、孤子质量与Hubbard势及链长间的关系。     

金属与聚乙炔环三端连接的电子输运性质

基于Landauer-Buttiker理论,用求解散射波函数的方法,研究了金属与环状聚乙炔链三端连接的电子输运性质.结果表明,在给定入射端的条件下,电导在正负能量上是对称的,当3个端口满足旋转对称性时,2个出射端的电导相同.电导随着导线与聚乙炔链间耦合强度的不同而呈现不同的性质,弱耦合时电导突变明显;耦合增强后,电导趋于稳定.各端的电导跟电子在该端口碳原子上的局域密度有关,随着导线与碳链间耦合强度的增大,局域密度随能量的振荡会减弱.     

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.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

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.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

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-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that