原子核的单粒子共振态

采用基于相对论平均场的耦合常数解析延拓方法研究球形核的单粒子共振态.具体计算了Zr同位素链中巨晕核的核芯核122Zr阈值附近的中子共振态的能量、宽度和波函数,其结果同相应的散射相移法的结果一致. Using analytic continuation in the coupling constant (ACCC) method within the framework of the self-consistent relativistic mean field (RMF) theory, the energies, widths and wave functions for single-particle resonant states close to the continuum threshold are evaluated. Predictions are also compared with corresponding results obtained by the scattering phase shift method.     

Spectral Domain Analysis of Coaxial Cavities

Coaxial cavities are used in high power gyrotrons as the beam-wave interaction structure. Much research has been devoted to their mode selective properties. A coaxial cavity lacks a sharp boundary at its open end, so it has some physical features that can only be observed using a spectral model, such as frequency-dependent field profiles and mode overlapping effects. These properties are important since cold tests are usually conducted in the frequency domain. This study applies the incident/reflected wave boundary condition to the wave equation of a weakly irregular coaxial waveguide. The resistivity of the wall is considered in the analysis. Calculations reveal that the fixed-position spectrum yields an uncertain resonant frequency and quality factor. Although the maximum-field spectrum can uniquely determine the properties of the coaxial cavity, the resonant frequency obtained using the maximum-field spectral model is inconsistent with that obtained using the temporal model. The field-energy spectrum explains the low Q nature of the coaxial cavity. Moreover, resonant frequencies evaluated using the field-energy spectrum agree precisely with those evaluated using the temporal model.     

SEQUENTIAL QUADRATIC PROGRAMMING METHODS FOR OPTIMAL CONTROL PROBLEMS WITH STATE CONSTRAINTS

A Kind of direct methods is presented for the solution of optimal control problems with state constraints.These methods are sequential quadratic programming methods.At every iteration a quadratic programming which is obtained by quadratic approximation to Lagrangian function and Linear approximations to constraints is solved to get a search direction for a merit function.The merit function is formulated by augmenting the Lagrangian funetion with a penalty term.A line search is carried out along the search direction to determine a step length such that the merit function is decreased.The methods presented in this paper include continuous sequential quadratic programming methods and discreate sequential quadrade programming methods.     

非谐振腔型KTP光参变振荡器

研究了双晶体走离补偿、非谐振腔型KTP光参变振荡器，利用一套膜片实现了KTP相位匹配所允许的全波段调谐，信号光调谐范围0.698μm-1.026μm，闲频光调谐范围1.105μm-2.237μm。5倍阈值处，信号光840nm最高输出能量53mJ，能量转换效率25.8%，量子转换效率40％，闲频光的量子郊率也达到32％。     

多势垒结构中的共振能量和量子能级的差异分析

利用Ｃｈｅｂｙｓｈｅｖ多项式和传输矩阵方法解析推导出多量子阱（ＭＱＷ）系统的束缚电子级公式，并定量分析了多势垒结构中的共振能量和相应ＭＱＷ系统量子能级的差异。     

The structure of cyclopentene oxide determined by gas phase electron diffraction

The r_g structure of cyclopentene oxide has been determined by the simultaneous least squares analysis of electron diffraction and microwave spectroscopic data. The investigation has reaffirmed previous studies indicating that the molecule prefers a boat conformation. The methylene and epoxide flap angles obtained are 152.3±2.1° and 104.7±1.0° respectively. Other structural parameters determined are: r_g (C-H avg.) = 1.120±0.004 Å; r_g (C-C avg.) = 1.538±0.002 Å; r_g (C-O) = 1.443±0.003 Å, and r_g (C-C) = 1.482±0.004 Å for the carbon-carbon bond in the three membered epoxide ring. These results compare favorably with the reported structures of ethylene oxide and cyclohexene oxide. A tentative rationalization of the unusual boat conformation is also offered.     

Interesting interferences in a direct serum creatinine reaction

A spectrophotometric study on a direct picric acid reaction for creatinine in severely jaundiced serums is described. A problem appears to be caused by the oxidation of bilirubin which minimizes rising absorbance when using continuous measurement. Simple examples of interferences with the kinetic mode are shown along with the hitherto unreported interference of the drug, Cephalothin, which also undergoes a picric acid reaction. A procedure in which a delta absorbance is obtained after decolorization of the Jaffé complex by acidification is shown as one available means for obviating the bilirubin effect. However, the theory that Jaffé-reactive interferences do not decolorize with the same acid treatment is not totally applicable when the drug, Cephalothin, is present.     

Extremal k *-Cycle Resonant Hexagonal Chains

Denote by ^* _n the set of all k ^*-cycle resonant hexagonal chains with n hexagons. For any B _n ^* _n , let m(B _n ) and i(B _n ) be the numbers of matchings (=the Hosoya index) and the number of independent sets (=the Merrifield–Simmons index) of B _n , respectively. In this paper, we give a characterization of the k ^*-cycle resonant hexagonal chains, and show that for any B _n ^* _n , m(H _n )m(B _n ) and i(H _n )i(B _n ), where H _n is the helicene chain. Moreover, equalities hold only if B _n =H _n .     

Mechanism and control of molecular energy flow: a modeling perspective

 Vibrational energy flow in organic molecules occurs by a multiple-time-scale mechanism that can be modeled by a single exponential only in its initial stages. The mechanism is a consequence of the hierarchical structure of the vibrational Hamiltonian, which leads to diffusion of vibrational wavepackets on a manifold with far fewer than the 3N−6 dimensions of the full vibrational state space. The dynamics are controlled by a local density of states, which does not keep increasing with molecular size. In addition, the number of vibrational coordinates severely perturbed during chemical reaction is small, leading to preservation of the hierarchical structure at chemically interesting energies. This regularity opens up the possibility of controlling chemical reactions by controlling the vibrational energy flow. Computationally, laser control of intramolecular vibrational energy redistribution can be modeled by quantum-classical, or by purely quantum-mechanical models of the molecule and control field. Received: 26 July 2002 / Accepted: 30 September 2002 / Published online: 2 December 2002 Electronic Supplementary Material to this paper can be obtained by using the Springer Link server located at http://dx.doi.org/10.1007/s00214-002-0394-2. Acknowledgements. This work was supported by NSF grant CHE 9986670. Correspondence to: M. Gruebele e-mail: gruebele@scs.uiuc.edu