Convergence of distorted Brownian motions and singular Hamiltonians

We prove a convergence theorem for sequences of Diffusion Processes corresponding to Dirichlet Forms of the kind .We obtain convergence in total variation norm of the corresponding probability measures on the path space C(₊;^d) under hypotheses which, for example, are satisfied in the case of H _loc ¹ ( ^d )-convergence of the 's, but we can allow more singular situations as regards the approximating sequences. We use then these results to give a criterion of convergence for generalized Schrödinger operators in which the potential function should not necessarily exists as a measurable function. We obtain convergence not only in strong resolvent sense, but we also obtain convergence in the uniform operator topology up to sets of arbitrarily small Lebesgue measure. Applications to the problem of the approximation of ordinary Schrödinger operators by generalized ones corresponding to zero-range interactions are given.     

Skew Brownian motion-type of extensions

We consider a class of possible extensions of a given symmetric Feller processZ _t fromR{0} to the entire real lineR, depending on a parameter [0, 1]. It is proved that the proposed extension exists if =1/2; for 1/2, exists if and only ifZ _t does not jump over 0 (e.g., ifZ _t is a diffusion).     

The uniform modulus of continuity of iterated Brownian motion

LetX be a Brownian motion defined on the line (withX(0)=0) and letY be an independent Brownian motion defined on the nonnegative real numbers. For allt0, we define theiterated Brownian motion (IBM),Z, by setting . In this paper we determine the exact uniform modulus of continuity of the process Z.Research supported by NSF grant DMS-9122242.     

Fractional occupation numbers and spin density functional calculations of degenerate systems

We implemented ab initio self‐consistent field (SCF) fractional occupation numbers (FON) calculation with Dunlap's interpolation scheme for the twisted ethylene, which is a prototype molecule of a σ–π biradical system. The calculational results are compared with those of complete‐active‐space (CAS) SCF and spin‐unrestricted Kohn–Sham (UKS) calculations on potential surfaces, occupation numbers of natural orbitals, and correlation entropies. It was found that the UKS methods gave similar results to CASSCF, while the FON solutions appeared in only the nearly complete degenerate region. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 317–323, 2003     

Brownian motion of nonlinear oscillators: The projection operator method and its application to a double-well-potential oscillator

A projection operator method is presented, which provides the most efficient way for calculating the stationary behavior of nonlinear Brownian motion. A continued-fraction expansion of the Fourier-Laplace transform of the displacement correlation function or the spectral density is used. This method utilizes a successive optimization procedure on the nonlinear terms and includes the method of statistical linearization as the lowest order approximation. A systematic way to calculate the continued fraction numerically up to sufficient order for convergence is developed, which enables us to obtain the spectral density of a system previously uncomputable.Numerical computations of the spectral density of a nonlinear oscillator with a double-well potential are presented and compared with the results obtained by statistical linearization.This work was supported in part by the National Science Foundation under Grant CHE 75-20624.     

STATISTICS OF A NOVEL CLASS OF LIQUID CRYSTAL POLYMERS

A novel class of the liquid crystal polymers with mesogens laterally attached to flexible main chain backbones has been synthesized recently by us. While the flexible backbones tend to take configuration of maximum entropy the mesogenic side groups tend to orientate because of the anisotropie soft dispersion forces. A mean field theory is presented to describe the competition between these two trends which makes it possible for this class of polymers to show anisotropic (liquid crystal) phase within certain temperature range where the polymer main chains and the side chain mesogens will take approximately parallel arrangement, which is different from the normal side chain liquid crystal polymers. The temperature range of the liquid crystal phase, its ordering and phase transition all depend on the flexibility of the backbone, the strengthof the anisotropic forces of the side groups and the hinge elasticity. The results show that the liquid crystalisotropic phase transition is of the first order. The phase diagram, i. e. the dependence of the transition temperature on the structure of the polymers is also given.     

The Mathematical Theory of Ito Diffusions on Hypersurfaces, with Applications to NMR Relaxation Problems

A mathematical framework for translational Brownian motion on hypersurfaces is presented, using an imbedding of the surface and Ito diffusions in the ambient space. This includes a survey of Ito calculus and differential geometry. Computational methods for time correlation functions relevant to spin relaxation studies on curved interfaces are given, and explicit calculations of time correlation functions and order parameters for a Rippled surface are presented.     

Nonequilibrium Brownian dynamics simulations of shear thinning in concentrated colloidal suspensions

The effect of interparticle forces on shear thinning in concentrated aqueous and nonaqueous colloidal suspensions was studied using nonequilibrium Brownian dynamics. Hydrodynamic interactions among particles were neglected. Systems of 108 particles were studied at volume fractions of 0.2 and 0.4. For the nonaqueous systems, shear thinning could be correlated with the gradual breakup of small flocs present because of the weak, attractive secondary minimum in the interparticle potential. At the highest shear rate for=0.4, the particles were organized into a hexagonally packed array of strings. For the strongly repulsive aqueous systems, the viscosity appeared to be a discontinuous function of the shear rate. For=0.4, this discontinuity coincided with a transition from a disordered state to a lamellar structure for the suspension.     

Fractional noise

Fractional noiseN(t),t 0, is a stochastic process for every , and is defined as the fractional derivative or fractional integral of white noise. For = 1 we recover Brownian motion and for = 1/2 we findf ^–1-noise. For 1/2 1, a superposition of fractional noise is related to the fractional diffusion equation.