Chebyshev real wave packet propagation: H+O-2 (J=0) state-to-state reactive scattering calculations

In this paper we explore the relative performance of two recently developed wave packet methodologies for reactive scattering, namely the real wave packet Chebyshev domain propagation of Gray and Balint-Kurti [J. Chem. Phys. 108, 950 (1998)] and the Lanczos subspace wave packet approach of Smith [J. Chem. Phys. 116, 2354 (2002); Chem. Phys. Lett. 336, 149 (2001)]. In the former method, a modified Schrodinger equation is employed to propagate the real part of the wave packet via the well-known Chebyshev iteration. While the time-dependent wave packet from the modified Schrodinger equation is different from that obtained using the standard Schrodinger equation, time-to-energy Fourier transformation yields wave functions which differ only trivially by normalization. In the Lanczos subspace approach the linear system of equations defining the action of the Green operator may be solved via either time-dependent or time-independent methods, both of which are extremely efficient due to the simple tridiagonal structure of the Hamiltonian in the Lanczos representation. The two different wave packet methods are applied to three dimensional reactive scattering of H+O-2 (total J=0). State-to-state reaction probabilities, product state distributions, as well as initial-state-resolved cumulative reaction probabilities are examined. (C) 2002 American Institute of Physics.

A comparative study of iterative Chebyshev and Lanczos implementations of the boundary inhomogeneity method for quantum scattering

We have recently developed a scaleable Artificial Boundary Inhomogeneity (ABI) method [Chem. Phys. Lett.366, 390–397 (2002)] based on the utilization of the Lanczos algorithm, and in this work explore an alternative iterative implementation based on the Chebyshev algorithm. Detailed comparisons between the two iterative methods have been made in terms of efficiency as well as convergence behavior. The Lanczos subspace ABI method was also further improved by the use of a simpler three-term backward recursion algorithm to solve the subspace linear system. The two different iterative methods are tested on the model collinear H+H2 reactive state-to-state scattering.

Chebyshev polynomial approximation to approximate partial differential equations

This paper suggests a simple method based on Chebyshev approximation at Chebyshev nodes to approximate partial differential equations. The methodology simply consists in determining the value function by using a set of nodes and basis functions. We provide two examples. Pricing an European option and determining the best policy for chatting down a machinery. The suggested method is flexible, easy to program and efficient. It is also applicable in other fields, providing efficient solutions to complex systems of partial differential equations.

Chebyshev-type quadrature formulas for new weight classes

We give Chebyshev-type quadrature formulas for certain new weight classes. These formulas are of highest possible degree when the number of nodes is a power of 2. We also describe the nodes in a constructive way, which is important for applications. One of our motivations to consider these type of problems is the Faraday cage phenomenon for discrete charges as discussed by J. Korevaar and his colleagues.

Modified Chebyshev algorithm: some applications

Two applications of the modified Chebyshev algorithm are considered. The first application deals with the generation of orthogonal polynomials associated with a weight function having singularities on or near the end points of the interval of orthogonality. The other application involves the generation of real Szego polynomials.

A CHEBYSHEV-TYPE QUADRATURE RULE WITH SOME INTERESTING PROPERTIES

We give here an n-point Chebyshev-type rule of algebraic degree of precision n - 1, but having nodes that can be given explicitly. This quadrature rule also turns out to be one with an ''almost'' highest algebraic degree of precision.

Chebyshev-Laurent polynomials and weighted approximation

Let (a, b) subset of (0, infinity) and for any positive integer n, let S-n be the Chebyshev space in [a, b] defined by S-n:= span{x(-n/2+k),k= 0,...,n}. The unique (up to a constant factor) function tau(n) is an element of S-n, which satisfies the orthogonality relation S(a)(b)tau(n)(x)q(x) (x(b - x)(x - a))(-1/2) dx = 0 for any q is an element of Sn-1, is said to be the orthogonal Chebyshev S-n-polynomials. This paper is an attempt to exibit some interesting properties of the orthogonal Chebyshev S-n-polynomials and to demonstrate their importance to the problem of approximation by S-n-polynomials. A simple proof of a Jackson-type theorem is given and the Lagrange interpolation problem by functions from S-n is discussed. It is shown also that tau(n) obeys an extremal property in L-q, 1 less than or equal to q less than or equal to infinity. Natural analogues of some inequalities for algebraic polynomials, which we expect to hold for the S-n-pelynomials, are conjectured.

On a moment problem associated with Chebyshev polynomials

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Il teorema di Chebyshev

Dopo aver introdotto alcune nozioni della teoria della probabilità, ho esposto il teorema di Chebyshev ed alcuni teoremi ad esso collegati. Ho infine analizzato un'applicazione legata alle strategie d'investimento.

Minhāgîm : fir gantz Aškenaz, Polin, Mehrin we-Behmn bezonderz fir F"f de-Main, Maintz, Worms, Bamberg, Franken Šwaben, Elzas und Šwaitz

Digitalisat der Ausg. Rödelheim, [circa] 1820

Minhāgîm : wi man zich noheg in Aškenaz dś gontzi jor oich Polin, Pihem Mehrhn ... fil dinim ... šeini naiei kupfr šṭich ...

[Isaak aus Tyrnau]

Minhāgîm : fil hipšr den di erśṭn zein gwezn ... fun ali minhogim in Aškenaz dorch dz gntz jor ach welś lnd Polin, Pihem, Mehrin fr wor ; un fil dinim ...

Digitalisat der Ausg. Frankfurṭ de-Odr, [1723/24]

Maḥzor mi-kol ha-shanah : ke-minhag Ashkenaz u-Polin ṿe-ʿal pi rov kaṿanot ha-paiṭan neḥleḳu le-shenayim ṿe-arbaʿ ḥalaḳim ṿe-etsel kol ḥelek ve-ḥelek tefilat shaḥariti

Bd. 1, Rosh ha-shanah, Shabat Shuvah

Maḥzor le-yom sheni shel Rosh ha-Shanah : ke-minhag Polin, Behmen, Mehren ṿe-Ungarn

Aus der Sammlung des Leo Baeck Institute, digitalisiert in Kooperation mit dem Center for Jewish History, NY

Orthogonality relations for Chebyshev polynomials,

"C00-1469-0154."