Non‐empirical calculations of NMR indirect carbon–carbon coupling constants. Part 4: Bicycloalkanes

A systematic study of the one‐bond and long‐range J(C,C), J(C,H) and J(H,H) in the series of nine bicycloalkanes was performed at the SOPPA level with special emphasis on the coupling transmission mechanisms at bridgeheads. Many unknown couplings were predicted with high reliability. Further refinement of SOPPA computational scheme adjusted for better performance was carried out using bicyclo[1.1.1]pentane as a benchmark to investigate the influence of geometry, basis set and electronic correlation. The calculations performed demonstrated that classical ab initio SOPPA applied with the locally dense Dunning's sets augmented with inner core s‐functions used for coupled carbons and Sauer's sets augmented with tight s‐functions used for coupled hydrogens performs perfectly well in reproducing experimental values of different types of coupling constants (the estimated reliability is ca 1–2 Hz) in relatively large organic molecules of up to 11 carbon atoms. Additive coupling increments were derived for J(C,C), J(C,H) and J(H,H) based on the calculated values of coupling constants within SOPPA in the model bicycloalkanes, in reasonably good agreement with the known values obtained earlier on pure empirical grounds. Most of the bridgehead couplings in all but one bicycloalkane appeared to be essentially additive within ca 2–3 Hz while bicyclo[1.1.1]pentane demonstrated dramatic non‐additivity of ?14.5 Hz for J(C,C), +16.6 Hz for J(H,H) and ?5.5 Hz for J(C,H), in line with previous findings. Non‐additivity effects in the latter compound established at the SOPPA level should be attributed to the through‐space non‐bonded interactions at bridgeheads due to the essential overlapping of the bridgehead rear lobes which provides an additional and effective non‐bonding coupling path for the bridgehead carbons and their protons in the bicyclopentane framework. Copyright © 2003 John Wiley & Sons, Ltd.     

The production of slow particles in 16O－Em interactions at 4.5 A GeV/c

A sample of 1233 events is used to study the general characteristics of {}^{16}O－Em interactions at 4.5 A GeV/c. Multiplicity and angular distributions of slow particles and correlations among them are discussed. The present data are compared with the corresponding results from the interactions of other projectiles at the same energy and also the same projectile at different energies. The results indicate that black particle production is independent of the energy and mass of the projectile, but for grey particles it is dependent on the mass of projectile.     

Analysis of a 2D “liquid”plasma lattice

Adustyplasmacanbedefinedasacomplicatedplasmacontainingsmallsolidmattercalleddustgrainsordustparticles,whichareusuallychargednegatively,duetoelectronshighermobilitythanion,bycollectingelectronsandionsfromthebackgroundplasma.Theuniverseisfilledwithdustyplasmassuchasplanetaryrings,comettails,andnebulae.Also,inindustrialplasmaprocessing,particulatessuspendedinplasmaarethemajorcontaminationinsemiconductormanufacture.Studiesondustyplasmahavebeenextendedtofar-flungtopicssuchaswaves,instabilities,stro…     

Upper bounds on correlation decay for one-dimensional long-range spin-glass models

Some recent results on one-dimensional spin-glass models with polynomially decreasing interactions are described.     

Investigations of low- and high-spin states of <Superscript>132</Superscript>La

The fusion evaporation reaction ¹²²Sn(¹⁴N, 4n)¹³²La was used to populate the high-spin states of ¹³²La at the beam energy of 60 MeV. A new band consisting of mostly E2 transitions has been discovered. This band has the interesting links to the ground state 2^- and the isomeric state 6^-. A new transition of energy 351 keV connecting the low-spin states of the positive-parity band based on the πh _11/2 ⊗ νh _11/2 particle configuration, has been found. This has played a very important role in resolving the existing ambiguities and inconsistencies in the spin assignment of the band head. Received: 12 August 2002 / Accepted: 18 March 2003 / Published online: 7 May 2003     

Bounds to optimal burn‐in and optimal work size

Burn‐in is a widely used method to improve the quality of products or systems after they have been produced. In this paper, we consider the problem of determining the optimal burn‐in time and optimal work size maximizing the long‐run average amount of work saved per time unit in the computer applications. Assuming that the underlying lifetime distribution of the computer has an initially decreasing or/and eventually increasing failure rate function, an upper bound for the optimal burn‐in time is derived for each fixed work size and a uniform (with respect to the burn‐in time) upper bound for the optimal work size is also obtained. Furthermore, it is shown that a non‐trivial lower bound for the optimal burn‐in time can be derived if the underlying lifetime distribution has a large initial failure rate. Copyright © 2005 John Wiley & Sons, Ltd.     

水平均匀大气中多束光在接收面上的相关性及其对光强起伏的影响

在科尔莫戈罗夫理论的基础上，推广了光束在接收面上相关函数的物理含义。分析了多光束在接收面上的相关性。并在此基础上形成多光束光强起伏方差的解析表达式。分析结果表明，随着信道间距的增加，信道相关性下降。到达接收面的光强起伏方差降低；当信道完全重合，即相关系数变为1时，叠加后的光强起伏方差没有明显降低。与单光束时没有区别；在允许范围内增加光束数目可降低光强起伏。     

Radial and angular correlation in heliumlike ions

In the framework of nonrelativistic variational formalism a new type of basis set is proposed, to estimate separately the effect of radial and angular correlations on the ground‐state energy for helium isoelectronic sequence H^? to Ar¹⁶⁺. Effect of radial correlation is incorporated by using multiexponential functions arising from product basis sets suitably formed out of Slater‐type one‐particle orbitals. The angular correlation can be switched on by incorporating an expansion in terms of basis involving interparticle coordinates. With a set of six‐term Slater‐type one‐particle basis and five‐term interparticle expansion, the ground‐state energy of helium is estimated as ?2.9037236 (a.u.) compared with the multiterm variational estimates ?2.9037244 (a.u.) due to Pekeris and Thakkar and Smith and Drake. Matrix elements of different operators in the ground state have been calculated and found to be in good agreement with available accurate results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003     

AGSM光束在自由空间中的传输

 用矩阵方法研究了有扭曲的各向异性高斯-尔模型（AGSM）光束通过自由空间的传输。给出了光束参数的解析传输公式和详细数值计算结果，说明AGSM光束的传输特性以及扭曲因子和空间相关长度的影响。     

Pseudorandom properties of prime factors

In this paper we study some pseudo-random properties related to the prime factors of integers. We prove some results concerning the well distribution of the greatest prime factor modulo 4, and give some computational insight on the correlations, which seem to be beyond reach of proof.