An electronic structure investigation of the BNO-BON-NBO system

The potential energy hypersurface of the ground triplet states of the BNO-BON-NBO system has been investigated using traditional ab initio electronic structure theory. The molecules studied have the molecular formula BON and include three linear and three angular species, and two transition states for the isomerization of an angular N-B-O to an angular B-O-N and a linear B-NO, respectively. All stationary points on the BNO-BON-NBO isomerization potential energy surface have been characterized employing UMP2, UMP4, and Gaussian-2 (G2) theory with the 6-311G(d), 6-311G(2d), and TZ2P basis sets. The isomerization for an angular N-BO to the linear B-NO has a lower energy barrier than that of the former to an angular B-ON. Energetics are presented with G2 energies. Two sets of resonance structures for both bent B-NO (boron nitrosyl) and B-ON (boron isonitrosyl) were proposed and the bonding in the two species was analyzed. For the purpose of comparison, the density functional theory based hybrid methods B3LYP/6-311G(d) and B3LYP/TZ2P have also been applied to both geometry optimization and single-point calculations. It is found that the B3LYP prediction of the nature of the linear B-O is contradictory to that made by all MPn(n = 2 and 4) calculations. The cause for this contradiction is discussed.     

The invertibility of the product of unbounded Toeplitz operators

In this note I give necessary and sufficient conditions on outer functionsf andg for the operator to be bounded and invertible on H². I also discuss the relationship of this question to two open questions in operator theory and weighted norm inequalities.     

On nonnegative solvability of linear operator equations

LetE be a Banach lattice having order continuous norm. Suppose, moreover,T is a nonnegative reducible operator having a compact iterate and which mapsE into itself. The purpose of this work is to extend the previous results of the authors, concerning nonnegative solvability of (kernel) operator equations on generalL ^p-spaces. In particular, we provide necessary and sufficient conditions for the operator equation x=T x+y to possess a nonnegative solutionxE wherey is a given nonnegative and nontrivial element ofE and is any given positive parameter.     

Incomplete idempotent Schröder quasigroups and related packing designs

Summary In this paper it is proved that, for any positive integern 2, 3 (mod 4),n 7, there exists an incomplete idempotent Schröder quasigroup with one hole of size two IISQ(n, 2) except forn = 10. It is also proved that for any positive integern 0, 1 (mod 4), there exists an idempotent Schröder quasigroup ISQ(n) except forn = 5 and 9. These results completely determine the spectrum of ISQ(n) and provide an application to the packing of a class of edge-coloured block designs.Research supported by NSERC grant A-5320.Research supported by NSFC grant 19231060-2.     

Representation of elements of a sequence by sumsets

In this note the method of [5] and a result from [3] are combined to treat the following classical problem: Given a finite setA and an infinite sequenceS (both inZ), what is the minimal number of elements ofA whose sum lies inS? We obtain an upper bound depending only on the densities ofA andS (but not on their arithmetic nature).     

A note on “small representations of finite distributive lattices as congruence lattices”

G. Grätzer, H. Lakser, and E. T. Schmidt proved that every distributive lattice with n join-irreducible elements can be represented as the congruence lattice of a small lattice L, that is, a lattice L with O(n ² ) elements. G. Grätzer, I. Rival, and N. Zaguia proved that, for any <2, O(n ² ) can not be improved to O(n ). In this note we show that the theorem about small representation can be improved further to get a more delicate result.     

Finite energy sectors of the XY model

Continuing the earlier work on soliton sectors, we determine all finite energy representations of the XY model for almost all parameter values. In the interior of unique vacuum regions of parameters (i.e. the large external magnetic field region ||>1), the unique irreducible vacuum representation is the only finite energy representation.At the critical values of the parameters (||=1 as well as theXY symmetric case =0, ||1), there is an infinite number of mutually nonequivalent irreducible finite energy representations. Apart from the unique irreducible ground state representation and another associated irreducible representation, these infinite number of representations arise from an infinite number of nearly zero energy excitations of the ground state with a finite total energy and may be called infrared representations.In the remaining cases, as have been studied earlier, there are two additional irreducible finite energy representations besides two irreducible ground state representations and they are topological soliton sectors with different ground state limits in positive and negative spatial infinity. (For two exceptional values of parameters (, )=(0, ±1), they also become ground state representations.)     

Exact solution of a vertex model ind dimensions

We consider a class of vertex models describing directed lines on a lattice in arbitraryd dimensions, and solve the model exactly for the Cartesian lattice and in the case that each loop of lines carries a fugacity - 1. Our analysis, which can be carried out for arbitrary lattices, is based on an equivalence of the vertex model with a dimer problem. The dimer problem is, in turn, solved using the method of Pfaffians. It is found that the system is frozen below a critical temperatureT _cwith the critical exponent = (3 –d)/2.     

On spectral properties ofq-oscillator operators

The property of self-adjointness of the operatorQ =a ₊ +a _- in three types ofq-oscillator algebras is considered. Spectral measures and generalized eigenfunctions ofQ are found in the cases when this operator is bounded. Generalized eigenvectors are expressed in terms ofq-Hermite polynomials. If the operatorQ is unbounded, then its closure is not self-adjoint. However, in this case, admits self-adjoint extensions. Deficiency subspaces are one-dimensional. These subspaces are explicitly found.     

Semistable measures and limit theorems on real andp-adic groups

For any locally compact groupG, we show that any locally tight homomorphism from a real directed semigroup intoM ¹ (G) (semigroup of probability measures onG) has a shift which extends to a continuous one-parameter semigroup. IfG is ap-adic algebraic group then the above holds even iff is not locally tight. These results are applied to give sufficient conditions for embeddability of some translate of limits of sequences of the form {v _n ^kn } and M ¹ (G) such that ()= ^M , for somek>1 and AutG (cf. Theorems 2.1, 2.4, 3.7).