Analytic structure of solutions to multiconfiguration equations

We study the regularity at the positions of the (fixed) nuclei of solutions to (non-relativistic) multiconfiguration equations (including Hartree--Fock) of Coulomb systems. We prove the following: Let {phi_1,...,phi_M} be any solution to the rank--M multiconfiguration equations for a molecule with L fixed nuclei at R_1,...,R_L in R^3. Then, for any j in {1,...,M} and k in {1,...,L}, there exists a neighbourhood U_{j,k} in R^3 of R_k, and functions phi^{(1)}_{j,k}, phi^{(2)}_{j,k}, real analytic in U_{j,k}, such that phi_j(x) = phi^{(1)}_{j,k}(x) + |x - R_k| phi^{(2)}_{j,k}(x), x in U_{j,k} A similar result holds for the corresponding electron density. The proof uses the Kustaanheimo--Stiefel transformation, as applied earlier by the authors to the study of the eigenfunctions of the Schr"odinger operator of atoms and molecules near two-particle coalescence points.Comment: 15 page

Distance-two labelings of digraphs

For positive integers $j\ge k$, an $L(j,k)$-labeling of a digraph $D$ is a function $f$ from $V(D)$ into the set of nonnegative integers such that $|f(x)-f(y)|\ge j$ if $x$ is adjacent to $y$ in $D$ and $|f(x)-f(y)|\ge k$ if $x$ is of distant two to $y$ in $D$. Elements of the image of $f$ are called labels. The $L(j,k)$-labeling problem is to determine the $\vec{\lambda}_{j,k}$-number $\vec{\lambda}_{j,k}(D)$ of a digraph $D$, which is the minimum of the maximum label used in an $L(j,k)$-labeling of $D$. This paper studies $\vec{\lambda}_{j,k}$- numbers of digraphs. In particular, we determine $\vec{\lambda}_{j,k}$- numbers of digraphs whose longest dipath is of length at most 2, and $\vec{\lambda}_{j,k}$-numbers of ditrees having dipaths of length 4. We also give bounds for $\vec{\lambda}_{j,k}$-numbers of bipartite digraphs whose longest dipath is of length 3. Finally, we present a linear-time algorithm for determining $\vec{\lambda}_{j,1}$-numbers of ditrees whose longest dipath is of length 3.Comment: 12 pages; presented in SIAM Coference on Discrete Mathematics, June 13-16, 2004, Loews Vanderbilt Plaza Hotel, Nashville, TN, US

Integrality of Homfly (1,1)-tangle invariants

Given an invariant J(K) of a knot K, the corresponding (1,1)-tangle invariant J'(K)=J(K)/J(U) is defined as the quotient of J(K) by its value J(U) on the unknot U. We prove here that J' is always an integer 2-variable Laurent polynomial when J is the Homfly satellite invariant determined by decorating K with any eigenvector of the meridian map in the Homfly skein of the annulus. Specialisation of the 2-variable polynomials for suitable choices of eigenvector shows that the (1,1)-tangle irreducible quantum sl(N) invariants of K are integer 1-variable Laurent polynomials.Comment: 10 pages, including several interspersed figure

The Spectra of Large Toeplitz Band Matrices with a Randomly Perturbed Entry

This report is concerned with the union $sp_{\Omega}^{(j,k)}T_{n}(a)$ of all possible spectra that may emerge when perturbing a large $n \times n$ Toeplitz band matrix $T_{n}(a)$ in the $(j,k)$ site by a number randomly chosen from some set $\Omega$. The main results give descriptive bounds and, in several interesting situations, even provide complete identifications of the limit of $sp_{\Omega}^{(j,k)}T_{n}(a)$ as $n \to \infty$. Also discussed are the cases of small and large sets $\Omega$ as well as the "discontinuity of the infinite volume case", which means that in general $sp_{\Omega}^{(j,k)}T_{n}(a)$ does not converge to something close to $sp_{\Omega}^{(j,k)}T_{n}(a)$ as $n \to \infty$, where $T(a)$ is the corresponding infinite Toeplitz matrix. Illustrations are provided for tridiagonal Toeplitz matrices, a notable special case. \ud \ud The second author was supported by UK Enginering and Physical Sciences Research Council Grant GR/M1241

Mathematical Theory of Exchange-driven Growth

Exchange-driven growth is a process in which pairs of clusters interact and exchange a single unit of mass. The rate of exchange is given by an interaction kernel $K(j,k)$ which depends on the masses of the two interacting clusters. In this paper we establish the fundamental mathematical properties of the mean field kinetic equations of this process for the first time. We find two different classes of behaviour depending on whether $K(j,k)$ is symmetric or not. For the non-symmetric case, we prove global existence and uniqueness of solutions for kernels satisfying $K(j,k)\leq Cjk$. This result is optimal in the sense that we show for a large class of initial conditions with kernels satisfying $K(j,k)\geq Cj^{\beta}$ ($\beta>1)$ the solutions cannot exist. On the other hand, for symmetric kernels, we prove global existence of solutions for $K(j,k)\leq C(j^{\mu}k^{\nu}+j^{\nu}k^{\mu})$ ($\mu,\nu\leq2,$ $\mu+\nu\leq3),$ while existence is lost for $K(j,k)\geq Cj^{\beta}$ ($\beta>2).$ In the intermediate regime $3<\mu+\nu\leq4,$ we can only show local existence. We conjecture that the intermediate regime exhibits finite-time gelation in accordance with the heuristic results obtained for particular kernels.Comment: Mistakes in the uniqueness proofs are fixed. Some typos are corrected. Some references are adde