A new method for the derivation of exact vibration-rotational kinetic energy operator in internal coordinates

An efficient angular momentum method is presented and used to derive analytic expressions for the vibration-rotational kinetic energy operator of polyatomic molecules.The vibration-rotational kinetic energy operator is expressed in terms of the total angular momentum operator J,the angular momentum operator J and the momentum operator p conjugate to Z in the molecule-fixed frame Not only the method of derivation is simpler than that in the previous work,but also the expressions ot the kinetic energy operators arc more compact.Particularly,the operator is easily applied to different vibrational or rovibrational problems of the polyatomic molecules by variations of matrix elements Gn of a mass-dependent constant symmetric matrix     

On solving sparse band systems with three algorithms of the ABS family

In this paper, we examine three algorithms in the ABS family and consider their storage requirements on sparse band systems. It is shown that, when using the implicit Cholesky algorithm on a band matrix with band width 2q+1, onlyq additional vectors are required. Indeed, for any matrix with upper band widthq, onlyq additional vectors are needed. More generally, ifa _kj 0,j>k, then thejth row ofH _i is effectively nonzero ifj>i>k. The arithmetic operations involved in solving a band matrix by this method are dominated by (1/2)n ² q. Special results are obtained forq-band tridiagonal matrices and cyclic band matrices.The implicit Cholesky algorithm may require pivoting if the matrixA does not possess positive-definite principal minors, so two further algorithms were considered that do not require this property. When using the implicit QR algorithm, a matrix with band widthq needs at most 2q additional vectors. Similar results forq-band tridiagonal matrices and cyclic band matrices are obtained.For the symmetric Huang algorithm, a matrix with band widthq requiresq–1 additional vectors. The storage required forq-band tridiagonal matrices and cyclic band matrices are again analyzed.This work was undertaken during the visit of Dr. J. Abaffy to Hatfield Polytechnic, sponsored by SERC Grant No. GR/E-07760.     

Reachable and controllable sets for two-dimensional,linear, discrete-time systems

We consider two-dimensional discrete-time linear systems with constrained controls. We propose a simple polynomial time procedure to give an exact external representation of theN-step reachable set and controllable set. The bounding hyperplanes are explicitly derived in terms of the data of the problem. By using a result in computational geometry, all the calculations are made in polynomial time in contrast to classical methods. The limit case asN is also investigated.     

Coulomb scattering of an electron by a monopole

The Coulomb scattering of an electron by a magnetic monopole is analyzed using a lowest-order quantum perturbation approximation suggested by a two-potential Lagrangian form for classical electromagnetism, generalized through the use of spacetime algebra to include magnetic monopoles. Good agreement with existing conventional analyses of this problem is demonstrated.1. Work supported by Department of Energy contract DE-AC03-76SF00515.2. The idea to employ spacetime algebra (sometimes called Dirac algebra) to incorporate magnetic monopoles into classical electromagnetic theory was proposed by de Faria-Rosaet al. [3].3. This is a factori difference between the definition of 5 by Eq. (3) and that by Bjorken and Drell [6]. Since a cross section (without interference terms) is being calculated, we can ignore this distinction.     

Degradation in gain for a free electron laser amplifier due to electron momentum spread

A finite spread in axial momentum for the electron beam in a free electron laser amplifier is shown to decrease the small-signal gain. For millimeter and sub-millimeter wave amplifiers, where exponential growth dominates the gain, it is shown that the gain is approximately 3 db below that for a cold beam if the relative momentum spread (u/u)_1/2 = (G_o/248)^1/2 (_o/L), where G_o1 is the gain in db for the cold-beam case, _o is the magnetic wiggler period, and L is the amplifier length. Exact numerical examples are given for representative FEL amplifiers at 35 and 550 GHz.This research was sponsored by the U.S. Office of Naval Research, and by the U.S.-Israel Binational Science Foundation.     

The nonsymmetric pressure tensor in polyatomic fluids

Nonequilibrium molecular dynamics calculations are used to show that polyatomic fluids can support antisymmetric stress. In a homogeneous system where the time dependence of vorticity is a step function, it is shown that the rate at which intrinsic angular velocity approaches its steady-state value ( = 1/2 × u) is determined by the magnitude of the antisymmetric part of the pressure tensor.     

多模海森堡代数的算符恒等式

利用算符代数中的分析方法,得到了多模海森堡(Heisenberg)代数中的BCH公式和压缩算符的展开式。     

Quantum Information Entropies on Hyperbolic Single Potential Wells

In this work, we study the quantum information entropies for two different types of hyperbolic single potential wells. We first study the behaviors of the moving particle subject to two different hyperbolic potential wells through focusing on their wave functions. The shapes of these hyperbolic potentials are similar, but we notice that their momentum entropy densities change along with the width of each potential and the magnitude of position entropy density decreases when the momentum entropy magnitude increases. On the other hand, we illustrate the behaviors of their position and momentum entropy densities. Finally, we show the variation of position and momentum entropies Sx and Sp with the change of the potential well depth u and verify that their sum still satisfies the BBM inequality relation.     

关于BCI逻辑的一种偏序代数

通常,人们认为Kiyoshi Iséki在20世纪60年代引入的BCI-代数是组合逻辑中BCI逻辑的代数对等物。然而这种广为人知的断言却是有问题的,因为BCI逻辑关于BCI代数是不完备的。在本文中,我们引入一种称为MPE的偏序代数。在MPE中的每个不等式对应BCI逻辑中的一个重言式且反之亦然,从而MPE代数是与BCI逻辑完备的代数类。