Variational approximations for renormalization group transformations

Approximate recursion relations which give upper and lower bounds on the free energy are described. Optimal calculations of the free energy can then be obtained by treating parameters within the renormalization equations variationally. As an example, a particularly simple lower bound approximation which preserves the symmetry of the Hamiltonian (the one-hypercube approximation) is described. The approximation is applied to both the Ising model and the Wilson-Fisher model. At the fixed point a parameter is set variationally and critical indices are calculated. For the Ising model the agreement with the exact results atd = 2 is surprisingly good, 0.1%, and is good atd=3 and evend=4. For the Wilson-Fisher model the recursion relation is reduced to a one-dimensional integral equation which can be solved numerically givingv=0.652 atd=3, or by expansion in agreement with the results of Wilson and Fisher to leading order in . The method is also used to calculate thermodynamic functions for thed = 2 Ising model; excellent agreement with the Onsager solution is found.Supported in part by the National Science Foundation under Grants Nos. MPS73-04886A01 and GH-41512 and by the Brown University Materials Research Laboratory supported by the National Science Foundation. M.C.Y. was supported by a grant from the Scientific and Technical Research Council of Turkey.     

Carbon-13 NMR Characterization of an O-Alkylated Derivative of the Theophylline Metabolite 1,3-Dimethyluric Acid

Abstract

The structure of the derivative formed during the reaction of 1,3-dimethyluric acid, the major metabolite of theophylline in humans, with iodopropane was elucidated. GC-MS analysis indicated the presence of a single dipropylated product even though three positional isomers are possible. The stability of the product was lower than anticipated since one of the alkyl groups added was readily removed by acid hydrolysis. Carbon-13 NMR proved to be the most useful technique for establishing the positions of alkylation. Assignment of carbon-13 resonances were consistent with placement of propyl groups on N-7 and on the oxygen at C-8. The structure of the product was assigned as 1,3-dimethyl-7-(1-propyl)-8-(1-propyloxy)xanthine. This O-alkylated structure is unusual since most heterocycles that can exist as lactim-lactam tautomers alkylate primarily on ring nitrogens.     

Generalized Bethe ansatz solution of a one-dimensional asymmetric exclusion process on a ring with blockage

We present a model for a one-dimensional anisotropic exclusion process describing particles moving deterministically on a ring of lengthL with a single defect, across which they move with probability 0 p 1. This model is equivalent to a two-dimensional, six-vertex model in an extreme anisotropic limit with a defect line interpolating between open and periodic boundary conditions. We solve this model with a Bethe ansatz generalized to this kind of boundary condition. We discuss in detail the steady state and derive exact expressions for the currentj, the density profilen(x), and the two-point density correlation function. In the thermodynamic limitL the phase diagram shows three phases, a low-density phase, a coexistence phase, and a high-density phase related to the low-density phase by a particle-hole symmetry. In the low-density phase the density profile decays exponentially with the distance from the boundary to its bulk value on a length scale . On the phase transition line diverges and the currentj approaches its critical valuej _c = p as a power law,j _c – j ^–1/2. In the coexistence phase the width of the interface between the high-density region and the low-density region is proportional toL ^1/2 if the density f 1/2 and=0 independent ofL if = 1/2. The (connected) two-point correlation function turns out to be of a scaling form with a space-dependent amplitude n(x₁, x₂) =A(x₂)A ^Ke^–r/ withr = x ₂ –x ₁ and a critical exponent = 0.     

Momentum space distribution of electrons in an atom using hydrogenic wave functions

A formulation is developed to derive exact analytic expressions for electron-electron correlation and density of electrons in momentum space using hydrogenic wave functions. It is shown that for large atoms the expression for density of electrons has a simple form.     

The incompatibility between local hidden variable theories and the fundamental conservation laws

I discuss in detail the result that the Bell’s inequalities derived in the context of local hidden variable theories for discrete quantized observables can be satisfied only if a fundamental conservation law is violated on the average. This result shows that such theories are physically nonviable, and makes the demarcating criteria of the Bell’s inequalities redundant. I show that a unique correlation function can be derived from the validity of the conservation law alone and this coincides with the quantum mechanical correlation function. Thus, any theory with a different correlation function, like any local hidden variable theory, is incompatible with the fundamental conservation laws and space-time symmetries. The results are discussed in the context of two-particle singlet and triplet states, GHZ states, and two-particle double slit interferometry. Some observations on quantum entropy, entanglement, and nonlocality are also discussed.     

Simulations of Co‐GISAXS during kinetic roughening of growth surfaces

The recent development of surface growth studies using X‐ray photon correlation spectroscopy in a grazing‐incidence small‐angle X‐ray scattering (Co‐GISAXS) geometry enables the investigation of dynamical processes during kinetic roughening in greater detail than was previously possible. In order to investigate the Co‐GISAXS behavior expected from existing growth models, calculations and (2+1)‐dimension simulations of linear Kuramoto–Sivashinsky and non‐linear Kardar–Parisi–Zhang surface growth equations are presented which analyze the temporal correlation functions of the height–height structure factor. Calculations of the GISAXS intensity auto‐correlation functions are also performed within the Born/distorted‐wave Born approximation for comparison with the scaling behavior of the height–height structure factor and its correlation functions.     

Probabilistic models for stochastic elliptic partial differential equations

Mathematical requirements that the random coefficients of stochastic elliptical partial differential equations must satisfy such that they have unique solutions have been studied extensively. Yet, additional constraints that these coefficients must satisfy to provide realistic representations for physical quantities, referred to as physical requirements, have not been examined systematically.     

IR Evidences for N-9 and N-7 Regioisomers of the Acyclic Purine Nucleoside Analogues

The IR spectra have been recorded in the solid state for the parent molecule, 6-(N-pyrrolyl)purine (1) and its N-9-and N-7-substituted derivatives: 9-and 7-(2-hydroxyprop-1-yl)-6-(N-pyrrol-1-yl)purine (2 and 3), 9-and 7-(2-acetoxyprop-1-yl)-6-(N-pyrrol-1-yl)purine (4 and 5), 9-and 7-(2,3-dihydroxyprop-1-yl)-6-(N-pyrrol-1-yl)purine (6 and 7) as well as 9-and 7-(2,3-diacetoxyprop-1-yl)-6-(N-pyrrol-1-yl)purine (8 and 9). Analysis of the characteristic bands has proved to be useful in differentiating between N-9 and N-7 regioisomers.     

A Volume Inequality for Quantum Fisher Information and the Uncertainty Principle

Let A ₁,…,A _N be complex self-adjoint matrices and let ρ be a density matrix. The Robertson uncertainty principle