Electronic structure of the benzene–tetracyanoethylene complex: A synthesis of molecular orbital and density functional descriptions

The electronic structure of the benzene–tetracyanoethylene electron donor–acceptor complex is investigated at the HF /6-311G ^** level of theory. The computed electronic wave function is analyzed with rigorous interpretive tools that involve both molecular orbital and density functional approaches. The in situ electronegativity difference is calculated at 3.32 eV, resulting in a charge transfer of 0.016. This extent of charge transfer is found to account for only ca. 17% of the interaction energy of ca. 33% of the dipole moment. The remaining part of the dipole moment originates from buckling of the tetracyanoethylene moiety. The dependence of the electronegativity difference on the magnitude of charge transfer is found to be highly nonlinear. © 1994 John Wiley & Sons, Inc.     

LocalH-theorem for a kinetic variational theory

A localH-theorem is derived for a recently proposed extension of Enskog kinetic theory to a dense model fluid composed of particles with interactions extending beyond a hard core.On leave from: Katedra Fizyki, Uniwersytetu Szczecinskiego, 70-451 Szczecin, Poland.     

Extending analyticK-subanalytic functions

Letg:U→ℝ (U open in ℝⁿ) be an analytic and K-subanalytic (i. e. definable in ℝ _an ^K , whereK, the field of exponents, is any subfield ofℝ) function. Then the set of points, denoted Σ, whereg does not admit an analytic extension is K-subanalytic andg can be extended analytically to a neighbourhood of Ū\∑. Partially supported by the European RTN Network RAAG (contract no. HPRN-CT-00271)     

New fluorescence probes for monitoring the kinetics of laser-initiated polymerization

Several new fluorescence probes useful for following photopolymerization have been characterized. Among these are probes which can be used in rapidly gelling monomer mixtures and for photochemical polymerization initiated by very high laser powers. Systems which can be used with polyolacrylates and either with visible initiators or with UV initiators are reported. © 1993 John Wiley & Sons, Inc.     

Time Consistent Dynamic Risk Measures

We introduce the time-consistency concept that is inspired by the so-called “principle of optimality” of dynamic programming and demonstrate – via an example – that the conditional value-at-risk (CVaR) need not be time-consistent in a multi-stage case. Then, we give the formulation of the target-percentile risk measure which is time-consistent and hence more suitable in the multi-stage investment context. Finally, we also generalize the value-at-risk and CVaR to multi-stage risk measures based on the theory and structure of the target-percentile risk measure.     

Boundary G/G Theory and Topological Poisson–Lie Sigma Model

We study a boundary version of the gauged WZW model with a Poisson–Lie group G as the target. The Poisson–Lie structure of G is used to define the Wess–Zumino term of the action on surfaces with boundary. We clarify the relation of the model to the topological Poisson sigma model with the dual Poisson–Lie group G ^* as the target and show that the phase space of the theory on a strip is essentially the Heisenberg double of G introduced by Semenov–Tian–Shansky.