Quadratic Padé approximants and the intruder state problem of multireference perturbation methods

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     

Hyaluronic acid-copper(II) complexes: Spectroscopic characterization

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.     

Muon Spin Rotation and Relaxation Experiments on Thin Films

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.     

The microscopic investigation of structures of moving flux lines by neutron and muon techniques

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.     

Study on the pressure induced charge transfer phase transition in (C5H11)4N(FeFe(C2O2S2)3) by means of μSR spectroscopy

We have investigated the magnetic properties of iron mixed-valence complexes, (n-C_nH_2n+1)₄N[Fe^IIFe^III(dto)₃] (dto = C₂O₂S₂, n = 3, 5), in which not only a ferromagnetic transition but also a novel charge transfer phase transition (CTPT) take place [1]. This CTPT can be observed under ambient pressure for n = 3, while it appears abruptly above 0.5 GPa for n = 5 [2]. Recently, we have measured the muon spin relaxation (μSR) for the CTPT of n = 3, which revealed the dynamical process of electron-transfer between Fe^II and Fe^III and its frequency was estimated at about 0.1 MHz [3]. To investigate the pressure induced CTPT for n = 5, we carried out the μSR measurement for n = 5 at 150 K between 0.30 and 0.64 GPa with the ⁴He gas-operated pressure system. The asymmetry of the muon spin relaxation for n = 5 with Cu-Be pressure cell was almost constant up to 0.55 GPa, while it rapidly decreased with increasing pressure above 0.60 GPa. This result shows that the applied pressure causes the spin fluctuation due to the CTPT, which induces the decrease of the asymmetry of muon spin relaxation. This experiment can correctly decide the phase transition pressure from the absence to the appearance of the CTPT for n = 5.     

Pressure-induced molecular dissociation in iodine at low temperatures

Abstract

Synchrotron x-ray diffraction experiments at low temperatures have revealed that even at 35K the molecular dissociation starts taking place at P_S=21.5 and finishes at P_f=26.1GPa. An extrapolation of the phase boundary thus obtained at several temperatures intersects the T=4K line at P_S=21.6 and P_f=26.3GPa. This result, inferring the monatomic structure to be realized at P=30GPa and T=4K, leads to a discrepancy against the recent Mössbauer result obtained at the same point in the P-T phase diagram.     

Study of lower emittance dedicated synchrotron radiation mode for the BEPCⅡ

In this paper,a dedicated synchrotron radiation （SR） mode for the BEPCⅡ with an emittance of 85 nm has been designed,including the linear lattice,chromaticity correction and dynamic aperture optimization.The emittance of the new mode is about 60% of the previous mode used for routine operation of the BEPCⅡ .The effect of wigglers on the linear lattice was compensated and the total dynamic aperture including the wigglers’ nonlinear effect was estimated.The preliminary commissioning at the end of 2008 and the formal operation with the new mode confirmed its merits.     

Microscopic Studies of 2H-NbSe2 Probed by Positive Muon

Abstract

The microscopic state of the positively charged light particle in the transition metal dichalcogenide 2H-NbSe₂ was studied using the muon spin relaxation method (μ⁺SR) and muon level crossing resonance method (μ-LCR). Muons are expected to stay at interlayer position and behaves as a hydrogen like intercalant. We discuss the relation between conduction electron properties and the muon's behavior.     

A self-adaptive stochastic resonance system design and study in chaotic interference

The us of stochastic resonance （SR） can effectively achieve the detection of weak signal in white noise and colored noise. However, SR in chaotic interference is seldom involved. In view of the requirements for the detection of weak signal in the actual project and the relationship between the signal, chaotic interference, and nonlinear system in the bistable system, a self-adaptive SR system based on genetic algorithm is designed in this paper. It regards the output signal-to-noise ratio （SNR） as a fitness function and the system parameters are jointly encoded to gain optimal bistable system parameters, then the input signal is processed in the SR system with the optimal system parameters. Experimental results show that the system can keep the best state of SR under the condition of low input SNR, which ensures the effective detection and process of weak signal in low input SNR.     

基于互连线电容耦合的SR锁存电路研究

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.