Fast Gaussian wavepacket transforms and Gaussian beams for the Schrödinger equation

This paper introduces a wavepacket-transform-based Gaussian beam method for solving the Schrödinger equation. We focus on addressing two computational issues of the Gaussian beam method: how to generate a Gaussian beam representation for general initial conditions and how to perform long time propagation for any finite period of time. To address the first question, we introduce fast Gaussian wavepacket transforms and develop on top of them an efficient initialization algorithm for general initial conditions. Based on this new initialization algorithm, we address the second question by reinitializing the beam representation when the beams become too wide. Numerical examples in one, two, and three dimensions demonstrate the efficiency and accuracy of the proposed algorithms. The methodology can be readily generalized to deal with other semi-classical quantum mechanical problems.     

Microcalorimetric Character of Inhibition of Salicylaldehyde Glucosamine Schiff Base SG on Bacterial Metabolism

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Influence of reaction gas flows on the properties of SiGe:H thin film prepared by plasma assisted reactive thermal chemical vapour deposition

A new preparing technology, very high frequency plasma assisted reactive thermal chemical vapour deposition （VHFPA-RTCVD）, is introduced to prepare SiGe：H thin films on substrate kept at a lower temperature. In the previous work, reactive thermal chemical vapour deposition （I~TCVD） technology was successfully used to prepare SiGe：H thin films, but the temperature of the substrate needed to exceed 400℃. In this work, very high frequency plasma method is used to assist RTCVD technology in reducing the temperature of substrate by largely enhancing the temperature of reacting gases on the surface of the substrate. The growth rate, structural properties, surface morphology, photo- conductivity and dark-conductivity of SiGe：H thin films prepared by this new technology are investigated for films with different germanium concentrations, and the experimental results are discussed.     

Study of pure annihilation decays Bd,s→DOD-O

Within the heavy quark limit and the hierarchy approximation Λqcd << Md << Mb,we analyze the B→DOD-O and Bs→ DOD-O decays,which occur purely via annihilation type diagrams.As a rough estimate,we calculate their branching ratios and CP asymmetries in the perturbative QCD (PQCD) approach.The branching ratio of B→ DOD-O is about 3.8×10-5 that is just below the latest experimental upper limit.The branching ratio of Bs→ DOD-O is about 6.8 × 10-4,which could be measured in LHC-b.From the calculation,it is found that this branching ratio is not sensitive to the weak phase angle γ.In these two decay modes,there exist CP asymmetries because of the interference between weak and strong interaction.However,these asymmetries are too small to be measured easily.     

X-ray spectra induced by slow highly charged Ar q + ions in collision with Nb surface

The X-ray spectra of Nb surface induced by Ar ^q+ (q = 16,17) ions with the energy range from 10 to 20 keV/q were studied by the optical spectrum technology. The experimental results indicate that the multi-electron excitation occurred as a highly charged Ar¹⁶⁺ ion was neutralized below the metal surface. The K shell electron of Ar¹⁶⁺ was excited and then de-excited cascadly to emit K X-ray. The intensity of the X-ray emitted from K shell of the hollow Ar atom decreased with the increase of projectile kinetic energy. The intensity of the X-ray emitted from L shell of the target atom Nb increased with the increase of projectile kinetic energy. The X-ray yield of Ar¹⁷⁺ is three magnitude orders larger than that of Ar¹⁶⁺. Supported by the National Natural Science Foundation of China (Grant Nos.10774149 and 10405025)     

Improved free space optical communications performance by using time diversity

A laser beam propagating through turbulence experiences random amplitude and phase fluctuations, which can severely degrade the performance of free space optical communication systems. It this letter, time diversity is demonstrated as a technique which can decrease turbulence influence. Statistically, laser propagation along an atmospheric path is uncorrelated with an earlier-time path for a time interval greater than the atmospheric turbulence correlation time. To estimate time diversity system performance, a 2.2-km optical link is set up for comparing the fade probability of a system using time diversity with a system not using time diversity. The experimental results obtained under different turbulence conditions are shown which are in good agreement with the theory.     

Stereoselective bromination-suzuki cross-coupling of dehydroamino acids to form novel reverse-turn peptidomimetics: substituted unsaturated and saturated indolizidinone amino acids

A general and efficient methodology has been developed to prepare the C4-substituted dipeptide reverse-turn mimetics unsaturated (9a, 10a) and saturated (11a) azabicyclo[4.3.0] alkane amino acid derivatives. The side chain was introduced by bromination of dehydroamino acid intermediates followed by Suzuki coupling. Hydrogenation of the bicyclic dehydroamino acid 9a afforded saturated bicyclic lactam 11a. This approach can be further explored for the synthesis of a variety of such beta-turn mimetics with aryl and alkyl side chain functionalities. [reaction: see text]     

Total synthesis of deamido bleomycin a(2), the major catabolite of the antitumor agent bleomycin

Metabolic inactivation of the antitumor antibiotic bleomycin is believed to be mediated exclusively via the action of bleomycin hydrolase, a cysteine proteinase that is widely distributed in nature. While the spectrum of antitumor activity exhibited by the bleomycins is believed to reflect the anatomical distribution of bleomycin hydrolase within the host, little has been done to characterize the product of the putative inactivation at a chemical or biochemical level. The present report describes the synthesis of deamidobleomycin demethyl A(2) (3) and deamido bleomycin A(2) (4), as well as the respective aglycones. These compounds were all accessible via the key intermediate N(alpha)-Boc-N(beta)-[1-amino-3(S)-(4-amino-6-carboxy-5-methylpyrimidin-2-yl)propion-3-yl]-(S)-beta-aminoalanine tert-butyl ester (16). Synthetic deamido bleomycin A(2) was shown to be identical to the product formed by treatment of bleomycin A(2) with human bleomycin hydrolase, as judged by reversed-phase HPLC analysis and (1)H NMR spectroscopy. Deamido bleomycin A(2) was found to retain significant DNA cleavage activity in DNA plasmid relaxation assays and had the same sequence selectivity of DNA cleavage as bleomycin A(2). The most significant alteration of function noted in this study was a reduction in the ability of deamido bleomycin A(2) to mediate double-strand DNA cleavage, relative to that produced by BLM A(2).     

Energetics and vibrational states for hydrogen on Pt(111)

We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional adiabatic potential energy surface obtained from first-principles calculations. For coverages less than three quarters of a monolayer, the observed experimental high-resolution electron peaks at 31 and 68 meV are in excellent agreement with the theoretical transitions between selected bands. Our results convincingly demonstrate the need to go beyond the local harmonic oscillator picture to understand the dynamics of this system.