Perturbation theories and wave functions for calculation of electronic polarizabilities application to DNA bases

Three different forms of perturbation theories, variational perturbation, finite perturbation and second-order, are evaluated regarding their value for calculation of electronic polarizabilities of small and intermediate size molecules. It is concluded that with the practical constraint of a small basis set the variational perturbation method is the most promising alternative for calculation of polarizabilities. For several small molecules, our calculated polarizabilities indicate that both IEHT and ab initio wave functions give values in close agreement with each other. Variational perturbation calculations of polarizabilities with IEHT wave functions also include the DNA bases.     

Profiles of the unitarity triangle and CP-violating phases in the standard model and supersymmetric theories

We report on a comparative study of the profile of the CKM unitarity triangle, and the resulting CP asymmetries in B decays, in the standard model and in several variants of the minimal supersymmetric standard model (MSSM), characterized by a single phase in the quark flavour mixing matrix. The supersymmetric contributions to the mass differences , and to the CP-violating quantity are, to an excellent approximation, equal to each other in these theories, allowing for a particularly simple way of implementing the resulting constraints on the elements of from the present knowledge of these quantities. Incorporating the next-to-leading-order corrections and applying the current direct and indirect constraints on the supersymmetric parameters, we find that the predicted ranges of in the standard model and in MSSM models are very similar. However, precise measurements at B-factories and hadron machines may be able to distinguish these theories in terms of the other two CP-violating phases and . This is illustrated for some representative values of the supersymmetric contributions in , and . Received: 7 April 1999 / Published online: 30 June 1999     

Ground state wave functions in the hyperspherical formalism for nuclei with A>4

The general formulation of a technically advantageous method to find the ground state solution of the Schrödinger equation in configuration space for systems with a number of particles A greater than 4 is presented. The wave function is expanded in pair-correlated hyperspherical harmonics beyond the lowest order approximation and then calculated in the Faddeev approach. A recent efficient recursive method to construct antisymmetric A-particle hyperspherical harmonics is used. The accuracy is tested for the bound state energies of nuclei with A = 6–12. The high quality of the obtained results becomes evident from a comparison with other approaches.     

Irreducible matrices with reducible principal submatrices

Let A be a (0, 1)-matrix of order n 3 and let s_i⁰(A), i = 1, …, n, be the number of the off diagonal 0's in row and column i of A. We prove that if A is irreducible, and if all its principal submatrices of order (n − 1) are reducible, then s_i⁰(A) n − 1; i = 1, …, n. This establishes the validity of a conjecture by B. Schwarz concerning strongly connected graphs and their primal subgraphs.     

紧扰动下的谱连通算子是强不可约的 *

回答了D .A .Herrero于1988年提出的一个猜测 :可分复Hilbert空间上每个谱连通算子在紧扰动下是强不可约的 .     

Detection and Identification of Alkylating Agents by Using a Bioinspired “Chemical Nose”

Alkylating agents are simple and reactive molecules that are commonly used in many and diverse fields such as organic synthesis, medicine, and agriculture. Some highly reactive alkylating species are also being used as blister chemical‐warfare agents. The detection and identification of alkylating agents is not a trivial issue because of their high reactivity and simple structure. Herein, we report on a new multispot luminescence‐based approach to the detection and identification of alkylating agents. In order to demonstrate the potential of the approach, seven π‐conjugated oligomers and polymers bearing nucleophilic pyridine groups, 1 – 7 , were adsorbed onto a solid support and exposed to vapors of alkylators 8 – 15 . The alkylation‐induced color‐shift patterns of the seven‐spot array allow clear discrimination of the different alkylators. The spots are sensitive to minute concentrations of alkylators and, because the detection is based on the formation of new covalent bonds, these spots saturate at about 50 ppb.     

Die Raumcurve sechster Ordnung vom Geschlechte 1 als Erzeugniss trilinearer Grundgebilde

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