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31.
XY(H,Li,Na)分子基态的结构与势能函数   总被引:7,自引:1,他引:6       下载免费PDF全文
运用群论及原子分子反应静力学方法,推导了XY(H,Li,Na)分子基态的电子态及相应的离解极限.并采用密度泛函方法(B3LYP)和二次组态相互作用方法(QCISD)优化计算了XY(H,Li,Na)分子基态的平衡结构、振动频率和离解能.使用QCISD/6-311++G(3df,3pd)方法,对XY(H,Li,Na)分子基态进行了单点能扫描计算,采用最小二乘法拟合Murrell-Sorbie函数得到了相应的势能函数和与该基态相对应的光谱常数(Be,αe,ωe和ωexe),计算结果与实验数据符合得相当好.  相似文献   
32.
不完全信息群体决策专家权重的集结   总被引:8,自引:5,他引:3  
本文对于属性权重信息和属性效用信息都不完全的群体多属性决策问题,通过构造属性值区间和运用系统聚类分析法,对群体决策中的专家进行分类,并确定每位专家的权重.  相似文献   
33.
Newton-Leibniz integration rule only applies to commuting functions of continuum variables, while operators made of Dirac’s symbols (ket versus bra, e.g., |q〉〈q| of continuous parameter q) in quantum mechanics are usually not commutative. Therefore, integrations over the operators of type |〉〈| cannot be directly performed by Newton-Leibniz rule. We invented an innovative technique of integration within an ordered product (IWOP) of operators that made the integration of non-commutative operators possible. The IWOP technique thus bridges this mathematical gap between classical mechanics and quantum mechanics, and further reveals the beauty and elegance of Dirac’s symbolic method and transformation theory. Various applications of the IWOP technique, including constructing the entangled state representations and their applications, are presented.  相似文献   
34.
We introduce a dual-mode multiuser detector that dynamically switches its detection mode between matched-filter and decorrelator operations based on the channel characteristics. This detector significantly reduces the overall computational requirement while maintaining similar performance as that of the decorrelator. The switching mechanism of our dual-mode detector is designed by exploiting the performance-complexity tradeoff between the decorrelator and the matched-filter. Extensions of this idea to other types of multiuser detectors are also proposed  相似文献   
35.
本文提出了一种基于电子现金的新型支付协议,该协议通过第三方实时核算客户拥有的电子现金,但不进行实时转账。协议模型较好地克服了现有在线支付的交易瓶颈问题以及离线支付中电子现金容易被重用、伪造或篡改的问题,在交易过程中有效地保证了安全性,并且实现了电子现金的原子性、匿名性、可分割性和可验证性。  相似文献   
36.
根据Co P非晶态合金结构的短程有序和结构中可能存在P -P相互作用的实验事实 ,选择了单磷原子簇模型ConP(n =1~ 5 )和双磷原子簇模型ConP2 (n =1~ 4 ) ,用密度泛函理论方法对其进行计算 .结果表明 ,在单磷Co2 P( 2 ) 、Co3 P( 1) 及Co4P( 2 ) 模型体系中 ,Co原子供给P原子电子 ,与电负性规则一致 ,同时Co和P之间具较强化学作用 ,可以形成稳定的原子簇 ;而在双磷和单磷原子簇Co5P( 1) 模型体系中 ,形成的原子簇不稳定 ,采用单磷Co2 P( 2 ) 、Co3 P( 1) 及Co4P( 2 ) 模型能较好地反映Co P非晶态合金的结构特点 .  相似文献   
37.
The laser-induced damage (LID) behavior of narrow-band interference filters was investigated with a Nd:YAG laser at 1064 nm under single-pulse mode and free-running mode. The absorption measurement of such coatings was performed with surface thermal lensing (STL) technique. The damage morphologies under the two different laser modes were also studied in detail. It was found that all the filters exhibited a pass-band-center-dependent absorption and laser-induced damage threshold (LIDT) behavior, but the damage morphologies were diverse. The explanation was given with the analysis of the electric field distribution and the operational behavior of the irradiation laser.  相似文献   
38.
We investigate the origin of ultraviolet (UV) emission from Mg0.12 Zn0.88 O alloy thin films with a wurtzite structure fabricated on c-plane Al2O3 substrates by plasma assisted molecular beam epitaxy. At room temperature, the absorption edge and UV emission band of the Mg0.12Zn0.88O film shift to high-energy side compared with ZnO films. Temperature dependence of the photoluminescence spectra shows that the UV emission is composed of free exciton and neutral donor bound exciton emissions. Two-step dissociation processes of the UV emission are observed with the increasing temperature. The thermal quenching mechanism is attributed to the dissociation of the free exciton from the neutral donor bound exciton in the low temperature region and the dissociation of free electron and hole from the free exciton in the high temperature region.  相似文献   
39.
移动代理计算模式较传统的分布式计算模式有明显的优势,而伴随它有诸多安全问题出现,这使得它没有得到十分广泛的应用。本文针对代理自身的安全问题,分析了代理可能受到的攻击,并提出了一个安全方案。  相似文献   
40.
Exposed pad packages were introduced in the late 1980s and early 1990s because of their excellent thermal and electrical performance. Despite these advantages, the exposed pad packages experience a lot of thermo-hygro-mechanical related reliability problems during qualification and testing. Examples are die lift, which occurs predominantly after moisture sensitivity level conditions, and die-attach to leadframe delamination leading to downbond stitch breaks during temperature cycling. In this chapter, nonlinear finite element (FE) models using fracture mechanics based J-integral calculations are used to assess the reliability problems of the exposed pad package family. Using the parametric FE models any geometrical and material effects can be explored to their impact on the occurrence diepad delamination, and dielift. For instance the impact of diepad size is found to be of much less importance as the impact of die thickness is. Using the fracture mechanics approach, the starting location for the delamination from thermo-hygro-mechanical point of view is deducted. The results indicate that when diepad delamination is present, cracks are likely to grow beneath the die and dielift will occur. The interaction between dielift and other failure modes, such as lifted ball bonds, are not found to be very significant. The FE models are combined with simulation-based optimization methods to deduct design guidelines for optimal reliability of the exposed pad family.  相似文献   
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