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排序方式: 共有154条查询结果,搜索用时 890 毫秒
1.
Trilisa M. Perrine Rajat K. Chaudhuri Karl F. Freed 《International journal of quantum chemistry》2005,105(1):18-33
Simple and quadratic Padé resummation methods are applied to high‐order series from multireference many‐body perturbation theory (MR‐MBPT) calculations using various partitioning schemes (Møller–Plesset, Epstein–Nesbet, and forced degeneracy) to determine their efficacy in resumming slowly convergent or divergent series. The calculations are performed for the ground and low‐lying excited states of (i) CH2, (ii) BeH2 at three geometries, and (iii) Be, for which full configuration interaction (CI) calculations are available for comparison. The 49 perturbation series that are analyzed include those with oscillatory and monotonic divergence and convergence, including divergences that arise from either frontdoor or backdoor intruder states. Both the simple and quadratic Padé approximations are found to speed the convergence of slowly convergent or divergent series. However, the quadratic Padé method generally outperforms the simple Padé resummation. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
2.
Thermal decomposition of bis(hexamethylbenzene)iron(0) in the presence of carbon monoxide yields a novel carbonyl iron complex, [C6(CH3)6]Fe(CO)2. The cyclohexadiene complex [C6(CH3)6]Fe(C6H8) is obtained from reaction of bis(hexamethylbenzene)iron(0) with either 1,3-cyclohexadiene or benzene, and the yield is much greater in the presence of hydrogen gas. Interaction of bis-(hexamethylbenzene)iron(0) with 2-butyne induces a catalytic cyclotrimerization to give more hexamethylbenzene. Kinetic and isotope distribution studies indicate that the primary step in these reactions is not a direct loss of one ring ligand, but rather an insertion of the iron center into one of the ligand methyl CH bonds, leading to a benzyl hydride complex species. Mechanisms for the subsequent reactions of this iron hydride species are proposed. 相似文献
3.
Hyaluronic acid-copper(II) complexes were studied by ultraviolet and electron spin resonance spectroscopy (ESR), as well as by rheological measurements. Spin-Hamiltonian parameters were obtained from experimental spectra measured at 200 K by non-linear optimization method. These showg
x
g
y
<g
z
and indicate the
ground electronic state of copper ion, which is characteristic for carboxylato-copper(II) complexes. The non-axial symmetry of theg-tensor suggest rhombic crystal field symmetry. Formation of HA-Cu(II) complex is realized through the interaction of copper ions with carboxyl groups of the HA macromolecule. This complex is characteristic of the network-like rheological properties of its aqueous solution. 相似文献
4.
文章详细介绍了移动城域网的现状,并对城域网专线保护现状进行了详细分析,同时提出了两种新的SR专线热备保护方案:"单臂BFD+管理VRRP"专线热备方案和"Eth-CFM+SRRP"专线热备方案,并对这两种方案进行了详细的比较。 相似文献
5.
Bin Tian Robert J. Sclabassi Jennting T. Hsu Qiang Liu Ching Chung Li Mingui Sun 《电子科学学刊(英文版)》2007,24(5):642-648
Research interest in multi-frame Superresolution has risen substantially in recent years.This paper presents a modified Projection Onto Convex Set (POCS) superresolution method based on wavelet transform.The method analyzes the image formation model from wavelet multiresolution analysis point of view and defines an closed convex set and its corresponding projection based on wavelet transform.An iterative procedure is utilized to reduce the estimated errors of the result image,and this guarantees the estimated image to lay in the intersection of different convex sets,thus produces a high resolution image with a reduced error.The effectiveness of the algorithm is demonstrated by experimental results. 相似文献
6.
通过对线间电容耦合模型的研究, 提出了一种基于互连线电容耦合的SR锁存电路设计方案. 该方案首先分析互连线间电容耦合关系, 利用MOS管栅极电容模拟互连线电容; 然后利用电容耦合结构与线计算特性, 设计或非逻辑门电路, 在此基础上实现基于互连线电容耦合的SR锁存电路; 最后在TSMC 65nm Spectre环境下仿真验证. 结果表明 所设计的电路逻辑功能正 确, 且具有低硬件开销特性. 相似文献
7.
E. Morenzoni E. M. Forgan H. Glückler T. J. Jackson H. Luetkens Ch. Niedermayer T. Prokscha T.M. Riseman M. Birke A. Hofer J. Litterst M. Pleines G. Schatz 《Hyperfine Interactions》2001,133(1-4):179-195
The recent development at the Paul Scherrer Institute of a beam of low energy muons allows depth dependent muon spin rotation and relaxation investigations in thin samples, multilayers and near surface regions (low energy SR, LE-SR). After a brief overview of the LE-SR method, some representative experiments performed with this technique will be presented. The first direct determination of the field profile just below the surface of a high-temperature superconductor in the Meissner phase illustrates the power and sensitivity of low energy muons as near-surface probe and is an example of general application to depth profiling of magnetic fields. The evolution of the flux line lattice distribution across the surface of a YBa2Cu3O7 film in the vortex phase has been investigated by implanting muons on both sides of a normal-superconducting boundary. A determination of the relaxation time and energy barrier to thermal activation in iron nanoclusters, embedded in a silver thin film matrix (500nm), demonstrates the use of slow muons to measure the properties of samples that cannot be made thick enough for the use of conventional SR. Other experiments investigated the magnetic properties of thin Cr(001) layers at thicknesses above and below the collapse of the spin density wave. 相似文献
8.
毫米波/红外多传感器融合跟踪算法研究 总被引:3,自引:0,他引:3
毫米波/红外(MMW/IR)传感器是各国发展多模复合制导技术的重点.针对平方根无迹卡尔曼滤波(SR-UKF)的估计算法存在线性化误差及粒子滤波中得到优化的重要性密度函数比较困难的问题,将平方根无迹卡尔曼滤波与粒子滤波相结合,提出一种序贯融合的平方根无迹卡尔曼粒子滤波(SRUKPF)算法.利用平方根无迹卡尔曼算法得到的状态更新矩阵和误差协方差矩阵,构造粒子滤波的重要性密度函数,这样重要性密度函数能够融入最新观测信息,进而更加符合真实状态的后验概率分布.为验证算法的有效性,以地空导弹中MMW/IR传感器复合制导为背景进行仿真研究与分析,结果表明,该算法克服了粒子滤波法难以得到优化重要性密度函数的缺陷,能有效提高多传感器系统状态估计的精度 相似文献
9.
介绍了目前在IP网络上实现QoS的主要架构,并着重阐述了Differv这种主流架构的原理,以及以Alcatel 7750 SR为代表的新一代面向业务设计的网络设备对于QoS的支持能力。 相似文献
10.
We have used a variety of microscopic techniques to reveal the structure and motion of flux line arrangements, when the flux
lines in low T
c type II superconductors are caused to move by a transport current. Using small-angle neutron scattering by the flux line
lattice (FLL), we are able to demonstrate directly the alignment by motion of the nearest-neighbor FLL direction. This tends
to be parallel to the direction of flux line motion, as had been suspected from two-dimensional simulations. We also see the
destruction of the ordered FLL by plastic flow and the bending of flux lines. Another technique that our collaboration has
employed is the direct measurement of flux line motion, using the ultra-high-resolution spectroscopy of the neutron spin-echo
technique to observe the energy change of neutrons diffracted by moving flux lines. The muon spin rotation (μSR) technique gives the distribution of values of magnetic field within the FLL. We have recently succeeded in performing
μSR measurements while the FLL is moving. Such measurements give complementary information about the local speed and orientation
of the FLL motion. We conclude by discussing the possible application of this technique to thin film superconductors. 相似文献