Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1∏ of 7LiH

The reasonable dissociation limit of the second excited singlet state B¹∏ of ⁷LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B¹\Pi state are calculated using a symmetry-adapted-cluster configuration--interaction method in full active space. The whole potential energy curve for the B¹∏ state is obtained over the internuclear distance ranging from about 0.10nm to 0.54nm, and has a least-square fit to the analytic Murrell--Sorbie function form. The vertical excitation energy is calculated from the ground state to the B¹∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B¹∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.     

Flicker noise in degenerately doped Si single crystals near the metal-insulator transition

In this paper we report some of the important results of experimental investigations of the flicker noise near the metal-insulator (MI) transition in doped silicon single crystals. This is the first comprehensive work to study low-frequency noise in heavily doped Si over an extensive temperature range (2 K<T<500 K). The measurements of conductance fluctuations (flicker noise) were carried out in the frequency range 10⁻²<f<4 × 10¹ Hz in single crystalline Si across the MI transition by doping with phosphorous and boron. The magnitude of noise in heavily doped Si is much larger than that seen in lightly doped Si over the whole temperature range. The extensive temperature range covered allowed us to detect two distinct noise mechanisms. At low temperatures (T<100 K) universal conductance fluctuations (UCF) dominate and the spectral dependence of the noise is determined by dephasing the electron from defects with two-levels (TLS). At higher temperatures (T>200 K) the noise arises from activated defect dynamics. As the MI transition is approached, the 1/f spectral power, typical of the metallic regime, gets modified by the presence of discrete Lorentzians which arise from generation-recombination process which is the characteristic of a semiconductor.     

Equitable Total Coloring of Graphs with Maximum Degree 3

 The equitable total chromatic number χr d q u o; _e (G) of a graph G is the smallest integer k for which G has a total k-coloring such that the number of vertices and edges in any two color classes differ by at most one. We prove in this paper that χr d q u o; _e (G)≤5 if G is a multigraph with maximum degree at most 3. Received: February 24, 2000 Final version received: February 2, 2001 Acknowledgments. The author would like to thank the referee for valuable suggestions to improve this work.     

An optimal repeat inspection plan with several classifications

Multicharacteristic critical components exist in many systems. Such components could be a part of an aircraft, space shuttle or a gas ignition system. A component is critical if it causes disaster or a very high cost upon failure. In this paper, a new inspection plan for critical multicharacteristic components is presented. A mathematical model that depicts the plan is developed. An algorithm is proposed for finding the optimal number of repeat inspections and the sequence of characteristics for inspection that minimizes expected total cost per accepted component. The expected cost consists of the cost of inspection and the cost of misclassifications. The inspection plan and the model developed generalize existing models in the literature and provide a more realistic formulation. An example is given to demonstrate the plan and the model.     

Selection and Scheduling of Advanced Missions for NASA Using 0-1 Integer Linear Programming

A 0-1 integer linear programme for the selection and scheduling of US National Aeronautics and Space Administration (NASA) missions over a long planning horizon is presented. This model was formulated to allow a higher-level user-interaction with an advanced missions database currently being developed. The model implicitly considers the multi-objective nature of the problem, which results from the desire to maximize benefits in several categories as well as from the desire to minimize cost. In addition, the model allows the planner much flexibility in the selection process. This is accomplished by allowing the planner the ability to specify long- or short-term budget constraints, precursor/follow-on mission requirements, or any number of other idiosyncratic constraints which might be of importance in the decision process. Small example problems are solved in order to illustrate the approach, and areas for further research are discussed.     

An interactive approach for multiobjective decision making

We develop an interactive approach for multiobjective decision-making problems, where the solution space is defined by a set of constraints. We first reduce the solution space by eliminating some undesirable regions. We generate solutions (partition ideals) that dominate portions of the efficient frontier and the decision maker (DM) compares these with feasible solutions. Whenever the decision maker prefers a feasible solution, we eliminate the region dominated by the partition ideal. We then employ an interactive search method on the reduced solution space to help the DM further converge toward a highly preferred solution. We demonstrate our approach and discuss some variations.     

Discrete and Continuous Time Modulated Random Walks with Heavy-Tailed Increments

We consider a modulated process S which, conditional on a background process X, has independent increments. Assuming that S drifts to −∞ and that its increments (jumps) are heavy-tailed (in a sense made precise in the paper), we exhibit natural conditions under which the asymptotics of the tail distribution of the overall maximum of S can be computed. We present results in discrete and in continuous time. In particular, in the absence of modulation, the process S in continuous time reduces to a Lévy process with heavy-tailed Lévy measure. A central point of the paper is that we make full use of the so-called “principle of a single big jump” in order to obtain both upper and lower bounds. Thus, the proofs are entirely probabilistic. The paper is motivated by queueing and Lévy stochastic networks.     

On quartics with three-divisible sets of cusps

 We study the geometry and codes of quartic surfaces with many cusps. We apply Gr?bner bases to find examples of various configurations of cusps on quartics. Received: 10 May 2002 / Revised version: 11 November 2002 Published online: 3 March 2003 Permanent address: Institute of Mathematics, Jagiellonian University, ul. Reymonta 4, 30-059 Kraków, Poland. e-mail: rams@mi.uni-erlangen.de, rams@im.uj.edu.pl Research partially supported by the Schwerpunktprogramm ``Global methods in complex geometry' of the Deutsche Forschungsgemeinschaft, and by EAGER. Mathematics Subject Classification (2000): 14J25, 14J17