首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 453 毫秒
1.
采用密度泛函B3LYP方法,在6-311G(d,p)基组水平上优化了不同外电场下L1OH分子的基态稳定构型、电偶极矩和分子的总能量,并且分析了L1OH分子的HOMO-2到LUMO+2轨道的能量变化,然后利用杂化CIS方法在6-311G(d,p)的基组下计算了外电场L1OH分子的前9个激发态的激发能、波长和振子强度,结果表明:在没有外电场时,L1OH分子的激发态都能够激发;在有外电场的作用下,总能量随外电场的增加而逐渐减少,偶极矩随外电场的增加而不断增加,前线轨道能量随外电场的增加不断减少,轨道分布受外电场的影响很大;外电场对L1OH分子的激发波长也产生了一定影响.  相似文献   

2.
基于Su-Schrieffer-Heeger(SSH)模型并考虑到Brazovskii-Kirova对称破缺项,研究了共轭聚合物中注入极化子和激子在外电场下的散射过程.研究发现在外场作用下极化子总是能通过激子,而激子的运动行为则密切依赖于电场的强度.如果电场大于临界电场3.0×10~5V/cm,那么激子与极化子散射后并不发生任何运动;然而当电场小于此临界值时,激子将在极化子运动的相反方向上有一个明显的位移.激子在弱电场下所发生的这种迁移运动,是由于同极化子发生了慢散射作用.  相似文献   

3.
本文采用密度泛函B3LYP 方法在 6-311G++(d, p)基组上优化了不同外电场下(-0.025~0.025a.u)的对二甲苯分子,得到了不同外电场下的键长,能量,电偶极矩,前线轨道等构型参数并分析了上述参数随外电场的变化情况。之后在优化后基态的基础上,采用TDDFT/B3LYP/6-311++G(d, p)方法得出了不同外电场下(0~0.02a.u.)对二甲苯分子的紫外可见吸收光谱,并探讨了外电场变化对对二甲苯分子前9个激发态的激发能,波长和振子强度的影响规律。这些计算结果为利用强电场降解有毒物质对二甲苯提供理论依据。  相似文献   

4.
采用密度泛函B3PLY方法优化了不同外电场下TCNQ分子的基态稳定构型、电偶极矩和分子的总能量,并且分析了TCNQ分子的HOMO-2到LUMO+2轨道的能量变化。然后利用杂化CIS-DFT方法在同样的基组下计算了外电场下TCNQ分子的前9个激发态的激发能、波长和振子强度,结果表明在没有外电场的情况下,TCNQ分子只有一个激发态能够激发,从基态跃迁到第1激发态。在有外电场的作用下,总能量随外电场的增加而逐渐减少,偶极矩随外电场的增加而不断增加。其前线轨道的能量也随外电场的增加不断减少,轨道分布也受外电场很大的影响。另外,外电场对TCNQ分子的激发波长也产生了一定影响。  相似文献   

5.
采用密度泛函B3PLY方法优化了不同外电场下TCNQ分子的基态稳定构型、电偶极矩和分子的总能量,并且分析了TCNQ分子的HOMO-2到LUMO+2轨道的能量变化。然后利用杂化CIS-DFT方法在同样的基组下计算了外电场下TCNQ分子的前9个激发态的激发能、波长和振子强度,结果表明在没有外电场的情况下,TCNQ分子只有一个激发态能够激发,从基态跃迁到第1激发态。在有外电场的作用下,总能量随外电场的增加而逐渐减少,偶极矩随外电场的增加而不断增加。其前线轨道的能量也随外电场的增加不断减少,轨道分布也受外电场很大的影响。另外,外电场对TCNQ分子的激发波长也产生了一定影响。  相似文献   

6.
本文采用密度泛函B3LYP方法在6-311G++(d,p)基组上优化了不同外电场下(-0.025~0.025 a.u)的对二甲苯分子,得到了不同外电场下的键长,能量,电偶极矩和前线轨道等构型参数,并分析了上述参数随外电场的变化情况.之后在优化后基态的基础上,采用TDDFT/B3LYP/6-311++G(d,p)方法得出了不同外电场下(0~0.02 a.u.)对二甲苯分子的紫外可见吸收光谱,并探讨了外电场变化对对二甲苯分子前9个激发态的激发能,波长和振子强度的影响规律.这些计算结果为利用强电场降解有毒物质对二甲苯提供理论依据.  相似文献   

7.
重离子耗散反应需要鉴别产物的电荷数Z,为此,研制了一套ΔE-E望远镜.ΔE由两个串接在一起的气体电离室ΔE1和ΔE2组成,位置灵敏硅半导体测量粒子的剩余能量E.被探测粒子的轨迹与电离室的电场方向平行.该望远镜具有很低的能量探测阈,较小的外尺寸和强的抗电磁干扰能力.重离子耗散反应19F+27Al产物的激发函数实验测量表明,该望远镜的电荷分辨Z/ΔZ约为30.  相似文献   

8.
张春艳  赵清  傅立斌  刘杰 《物理学报》2012,61(14):143601-143601
利用LAMMPS程序研究了氢原子团簇在飞秒强激光场下的动力学行为, 讨论了引起小氢原子团簇各向异性膨胀的原因.通过对外电离过程中团簇内部电子的行为以及团簇各个方向上最外层质子距离团簇中心的距离随时间的变化情况的分析, 发现团簇的膨胀呈现各向异性,且引起这种各向异性的根源在于团簇内部电子的抖动以及逃逸.对氢原子团簇与强激光场相互作用过程中质子各能量分量以及各向异性程度随时间变化情况进行了研究,发现各向异性程度是随时间变化的, 这种各向异性程度首先随着激光电场的增强而增加,随后又逐渐减小,直到最后趋于某一大于1的稳定值.分析了激光脉冲结束后质子的平均能量与观测角之间的关系, 并将分析结果与Ditmire小组的实验结果进行了比较,发现我们的模拟结果在定性上与实验相符合.  相似文献   

9.
利用Rydberg波包分析量子力学体系的动力学行为是研究经典力学和量子力学的对应关系的一个非常重要的方法.本文主要研究了在外电场作用下平面转子的Rydberg波包的演化和恢复结构.结果表明:在弱电场作用下,波包仍可周期性的坍塌和恢复,但在强电场作用下,平面转子的Rydberg波包演化结构则与谐振子的相符.  相似文献   

10.
文中模拟了在基态非简并聚合物中的极化子和双极化子在弱电场中的运动,研究了在不同简并参数的系统中极化子和双极化子的动力学稳定性,发现在同一个系统中,双极化子比极化子的运动速度慢,晶格振荡小; 在简并参数大的系统中,极化子和双极化子的运动速度都变慢.极化子和双极化子在弱电场下都存在饱和速度,达到饱和速度后, 电场的能量发生了转换.  相似文献   

11.
A review of schemes for multiple access in fiber optic networks shows that a hybrid of wavelength and code division multiple access (WCDMA) combines the best features of both. In particular, the hybrid scheme retains the large information carrying capacity of wavelength division multiple access (WDMA) and flexibility of code division multiple access (CDMA). In this paper WDMA, optical CDMA (OCDMA), and WCDMA networks are discussed. In OCDMA networks, concept of incoherent and coherent coding including inverse decoding and matched filter is introduced. The delay performance of both WDMA and WCDMA networks, under the simple suboptimum access protocols based on cyclic search, is computed. It has been shown quantitatively that tuning delay significantly affects the delay performance of both WDMA and WCDMA networks. Futhermore, delay performance of WCDMA networks is always better than the WDMA networks for the same tuning delay, load, and number of users.  相似文献   

12.
Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs.  相似文献   

13.
A simple technique of pulse compression, based on the linear chirp compensation of self-phase modulation (SPM) spectra in dispersion shifted fibers, is demonstrated. The optimization procedure is carried out, for a short span of a single-mode fiber, using a parabolic law, which describes the behavior of the squared output pulse width versus the pump peak power in the case of Gaussian pulses. The experimental results give a minimum pulse duration of 233 fs, which is in good agreement with the model. Shorter and coherent pulses, down to 90 fs, have been obtained by inserting an interference filter at the optical output.  相似文献   

14.
Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation (5.5·104 Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure crystals is analyzed (preliminarily). Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997.  相似文献   

15.
The performance of port/starboard discrimination of dual-line array will be seriously degraded when the space between the two line arrays of the dual-line array is mismatched. The directivity function of the delay-sum and delay-subtract beamforming is deduced and the port/starboard discrimination of the delay-sum and delay-subtract beamforming is also studied both under the ideal status and the status under which the space between the two line arrays of the dual-line array is mismatched. Analysis results show the delay-subtract beamforming has better performance of port/starboard discrimination. At last, the sea trial results demonstrate the theoretical results.  相似文献   

16.
The Shanghai Synchrotron Radiation Facility(SSRF)booster ring,a full energy injector for the storage ring,is deigned to accelerate the electron beam energy from 150MeV to 3.5GeV that demands high extraction efficiency at the extraction energy with low beam loss rate when electrons are ramping.Closed orbit distortion(COD)caused by bending magnet field uniformity errors which affects the machine performance harmfully could be effectively reduced by bending magnet location sorting.Considering the affections of random errors in measurement,both ideal sorting and realistic sorting are studied based on measured bending magnet field uniformity errors and one reasonable combination of bending magnets which can reduce the horizontal COD by a factor of 5is given as the final installation sequence of the booster bending magnets in this paper.  相似文献   

17.
With a novel light-weight and absolutely calibrated ultraviolet (UV) spectrometer, UV skylight radiances and O3 slant column densities are measured by balloon-borne limb measurements in Xinjiang area, China. UV skylight radiances measured at the height of 31 km are compared with the results from Modtran in the wavelength range from 290 to 420 nm. O3 slant column densities are derived from radiance spectra in the Huggins bands (320 - 335 nm) using differential optical absorption spectroscopy method. And the parameter exhibits a good correlation with the same value simulated by radiative transfer model (Tracy). The O3 profile simultaneously measured by an O3 sonde is used as input in Tracy calculations. The O3 sonde is launched on the same balloon.  相似文献   

18.
For breaking through the sensitivity limitation of conventional surface plasmon resonance (SPR) biosensors, novel highly sensitive SPR biosensors with Au nanoparticles and nanogratings enhancement have been proposed recently.But in practice, these structures have obvious disadvantages.In this study, a nanohole based sensitivity enhancement SPR biosensor is proposed and the influence of different structural parameters on the performance is investigated by using rigorous coupled wave analysis (RCWA).Electromagnetic field distributions around the nanohole are also given out to directly explain the performance difference for various structural parameters.The results indicate that significant sensitivity increase is associated with localized surface plasmons (LSPs) excitation mediated by nanoholes.Except to outcome the weakness of other LSP based biosensors, larger resonance angle shift, reflectance amplitude, and sharper SPR curves' width are obtained simultaneously under optimized structural parameters.  相似文献   

19.
Novel polymer distributed feedback(DFB)gratings are fabricated based on photopolymerization to reduce lasing threshold of polymer lasers.A photopolymer formulation sensitive to 355-nm ultraviolet(UV)light is proposed for the fabrication of polymer gratings and it can be used to form polymer films by spin-coating process.A very low surface-relief depth ranging from 12.5 to about 1.0 nm has been demonstrated with a refractive-index modulation of about 0.012.The experimental results indicate that such polymer gratings have promising potentials for the fabrication of low-order DFB organic semiconductor lasers.  相似文献   

20.
We propose a novel methodology based on the projector-camera (ProCam) system to address the photometric compensation issue for the projection display on the patterned screen.The patterned screen is treated as the combination of a perfect white screen and a color modulator.The perfect white screen is used to automatically and accurately characterize the ProCam system offline using the polynomial model,and the parameters of the color modulator can be efficiently recovered by employing only two gray images based on the linear reflectance model.The experimental results show that the color artifacts of the display image can be greatly improved with this methodology,which demonstrates its feasibility and validity in the photometric compensation.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号