ROS3P---an accurate third-order Rosenbrock solver designed for parabolic problems

In this note we present a new Rosenbrock solver which is third--order accurate for nonlinear parabolic problems. Since Rosenbrock methods suffer from order reductions when they are applied to partial differential equations, additional order conditions have to be satisfied. Although these conditions have been known for a longer time, from the practical point of view only little has been done to construct new methods. {sc Steinebach cite{St95 modified the well--known solver RODAS of {sc Hairer and {sc Wanner cite{HaWa96 to preserve its classical order four for special problem classes including linear parabolic equations. His solver RODASP, however, drops down to order three for nonlinear parabolic problems. Our motivation here was to derive an efficient third--order Rosenbrock solver for the nonlinear situation. Such a method exists with three stages and two function evaluations only. A comparison with other third--order methods shows the substantial potential of our new method

ROS3P : an accurate third-order Rosenbrock solver designed for parabolic problems

In this note we present a new Rosenbrock solver which is third--order accurate for nonlinear parabolic problems. Since Rosenbrock methods suffer from order reductions when they are applied to partial differential equations, additional order conditions have to be satisfied. Although these conditions have been known for a longer time, from the practical point of view only little has been done to construct new methods. {sc Steinebach cite{St95 modified the well--known solver RODAS of {sc Hairer and {sc Wanner cite{HaWa96 to preserve its classical order four for special problem classes including linear parabolic equations. His solver RODASP, however, drops down to order three for nonlinear parabolic problems. Our motivation here was to derive an efficient third--order Rosenbrock solver for the nonlinear situation. Such a method exists with three stages and two function evaluations only. A comparison with other third--order methods shows the substantial potential of our new method

On global error estimation and control for initial value problems

This paper addresses global error estimation and control for initial value problems for ordinary differential equations. The focus lies on a comparison between a novel approach based on the adjoint method combined with a small sample statistical initialization and the classical approach based on the first variational equation. Control is achieved through tolerance proportionality. Both approaches are found to work well and to enable estimation and control in a reliable manner. However, the novel approach is not found to be competitive with the classical approach, mainly because of its huge storage demand for large problems

Galois groups of multivariate Tutte polynomials

The multivariate Tutte polynomial $\hat Z_M$ of a matroid $M$ is a generalization of the standard two-variable version, obtained by assigning a separate variable $v_e$ to each element $e$ of the ground set $E$. It encodes the full structure of $M$. Let \bv = \{v_e\}_{e\in E}, let $K$ be an arbitrary field, and suppose $M$ is connected. We show that $\hat Z_M$ is irreducible over K(\bv), and give three self-contained proofs that the Galois group of $\hat Z_M$ over K(\bv) is the symmetric group of degree $n$, where $n$ is the rank of $M$. An immediate consequence of this result is that the Galois group of the multivariate Tutte polynomial of any matroid is a direct product of symmetric groups. Finally, we conjecture a similar result for the standard Tutte polynomial of a connected matroid.Comment: 8 pages, final version, to appear in J. Alg. Comb. Substantial revisions, including the addition of two alternative proofs of the main resul

Bipolarons in the Extended Holstein Hubbard Model

We numerically and analytically calculate the properties of the bipolaron in an extended Hubbard Holstein model, which has a longer range electron-phonon coupling like the Fr\" ohlich model. In the strong coupling regime, the effective mass of the bipolaron in the extended model is much smaller than the Holstein bipolaron mass. In contrast to the Holstein bipolaron, the bipolaron in the extended model has a lower binding energy and remains bound with substantial binding energy even in the large-U limit. In comparison with the Holstein model where only a singlet bipolaron is bound, in the extended Holstein model a triplet bipolaron can also form a bound state. We discuss the possibility of phase separation in the case of finite electron doping.Comment: 5 pages, 3 figure

Optimal trapping wavelengths of Cs2_2 molecules in an optical lattice

The present paper aims at finding optimal parameters for trapping of Cs$_2$ molecules in optical lattices, with the perspective of creating a quantum degenerate gas of ground-state molecules. We have calculated dynamic polarizabilities of Cs$_2$ molecules subject to an oscillating electric field, using accurate potential curves and electronic transition dipole moments. We show that for some particular wavelengths of the optical lattice, called "magic wavelengths", the polarizability of the ground-state molecules is equal to the one of a Feshbach molecule. As the creation of the sample of ground-state molecules relies on an adiabatic population transfer from weakly-bound molecules created on a Feshbach resonance, such a coincidence ensures that both the initial and final states are favorably trapped by the lattice light, allowing optimized transfer in agreement with the experimental observation

Net Charge on a Noble Gas Atom Adsorbed on a Metallic Surface

Adsorbed noble gas atoms donate (on the average) a fraction of an electronic charge to the substrate metal. The effect has been experimentally observed as an adsorptive change in the electronic work function. The connection between the effective net atomic charge and the binding energy of the atom to the metal is theoretically explored.Comment: ReVvTeX 3.1 format, Two Figures, Three Table

A first-principles approach to electrical transport in atomic-scale nanostructures

We present a first-principles numerical implementation of Landauer formalism for electrical transport in nanostructures characterized down to the atomic level. The novelty and interest of our method lies essentially on two facts. First of all, it makes use of the versatile Gaussian98 code, which is widely used within the quantum chemistry community. Secondly, it incorporates the semi-infinite electrodes in a very generic and efficient way by means of Bethe lattices. We name this method the Gaussian Embedded Cluster Method (GECM). In order to make contact with other proposed implementations, we illustrate our technique by calculating the conductance in some well-studied systems such as metallic (Al and Au) nanocontacts and C-atom chains connected to metallic (Al and Au) electrodes. In the case of Al nanocontacts the conductance turns out to be quite dependent on the detailed atomic arrangement. On the contrary, the conductance in Au nanocontacts presents quite universal features. In the case of C chains, where the self-consistency guarantees the local charge transfer and the correct alignment of the molecular and electrode levels, we find that the conductance oscillates with the number of atoms in the chain regardless of the type of electrode. However, for short chains and Al electrodes the even-odd periodicity is reversed at equilibrium bond distances.Comment: 14 pages, two-column format, submitted to PR

Fluid Models of Many-server Queues with Abandonment

We study many-server queues with abandonment in which customers have general service and patience time distributions. The dynamics of the system are modeled using measure- valued processes, to keep track of the residual service and patience times of each customer. Deterministic fluid models are established to provide first-order approximation for this model. The fluid model solution, which is proved to uniquely exists, serves as the fluid limit of the many-server queue, as the number of servers becomes large. Based on the fluid model solution, first-order approximations for various performance quantities are proposed

On the Relationship between the Uniqueness of the Moonshine Module and Monstrous Moonshine

We consider the relationship between the conjectured uniqueness of the Moonshine Module, ${\cal V}^\natural$, and Monstrous Moonshine, the genus zero property of the modular invariance group for each Monster group Thompson series. We first discuss a family of possible $Z_n$ meromorphic orbifold constructions of ${\cal V}^\natural$ based on automorphisms of the Leech lattice compactified bosonic string. We reproduce the Thompson series for all 51 non-Fricke classes of the Monster group $M$ together with a new relationship between the centralisers of these classes and 51 corresponding Conway group centralisers (generalising a well-known relationship for 5 such classes). Assuming that ${\cal V}^\natural$ is unique, we then consider meromorphic orbifoldings of ${\cal V}^\natural$ and show that Monstrous Moonshine holds if and only if the only meromorphic orbifoldings of ${\cal V}^\natural$ give ${\cal V}^\natural$ itself or the Leech theory. This constraint on the meromorphic orbifoldings of ${\cal V}^\natural$ therefore relates Monstrous Moonshine to the uniqueness of ${\cal V}^\natural$ in a new way.Comment: 53 pages, PlainTex, DIAS-STP-93-0