On the lowest electronic states of the C2F radical

The adiabatic energy surfaces of the lowest three electronic states [²(²A′ and ²A′)] and ²Σ⁺[²A′] of the C₂F radical were investigated by the Hartree-Fock multiconfiguration self-consistent field (HF—MCSCF) ab initio method using a large set of atomic natural orbitals (ANO) and an extended configuration space, and the results were shown to be in agreement with the predictions of valence theory for this radical. The electronic ground state was found to have a bent equilibrium structure, hence contradicting the Walsh rule which predicts for the isoelectronic molecules a ² linear state. The three states were found to be nearly degenerate and the potential energy surfaces of the two lowest electronic states exhibit an avoided crossing at an energy ∼2000 cm⁻¹ above the ground-state minimum, lower than the highest vibrational fundamental. The strong adiabatic interaction which is responsible for the ordering of the electronic states and their equilibrium geometry involves not only the bending coordinate as normally found for Renner-Teller pairs of states, but also the C—C stretching coordinate, due to the near degeneracy of the ²Σ⁺ and the ² lowest electronic states at linear geometries. © 1996 John Wiley & Sons, Inc.     

On closedness assumptions in selection theorems

We begin by a short survey of various attempts in selection theory to avoid the closedness assumption for values of multivalued mappings. We collect special cases when Michael's Gδ-problem admits an affirmative solution and we prove some unified theorems of such type. We also show that in general this problem has a negative solution. In comparison with a recent result of Filippov, we work directly in the Hilbert cube rather than in the space of all probabilistic measures endowed with different topologies.     

Liftings of graded quasi-Hopf algebras with radical of prime codimension

Let p be a prime, and let RG(p) denote the set of equivalence classes of radically graded finite dimensional quasi-Hopf algebras over C, whose radical has codimension p. The purpose of this paper is to classify finite dimensional quasi-Hopf algebras A whose radical is a quasi-Hopf ideal and has codimension p; that is, A with gr(A) in RG(p), where gr(A) is the associated graded algebra taken with respect to the radical filtration on A. The main result of this paper is the following theorem: Let A be a finite dimensional quasi-Hopf algebra whose radical is a quasi-Hopf ideal of prime codimension p. Then either A is twist equivalent to a Hopf algebra, or it is twist equivalent to H(2), H_±(p), A(q), or H(32), constructed in [5] and [8]. Note that any finite tensor category whose simple objects are invertible and form a group of order p under tensor is the representation category of a quasi-Hopf algebra A as above. Thus this paper provides a classification of such categories.     

A weak discrete maximum principle for hp-FEM

In this paper, we prove a new discrete maximum principle (DMP) for the one-dimensional Poisson equation discretized by the hp-FEM. While the DMP for piecewise-linear elements is a classical result from the 1970s, no extensions to hp-FEM are available to the present day. Due to a negative result by Höhn and Mittelmann from 1981, related to quadratic Lagrange elements, it was long assumed that higher-order finite elements do not satisfy discrete maximum principles. In this paper we explain why it is not possible to make a straightforward extension of the classical DMP to the higher-order case, and we propose stronger assumptions on the right-hand side under which an extension is possible.     

Smoothness of generalized solutions for higher-order elliptic equations with nonlocal boundary conditions

The smoothness of generalized solutions for higher-order elliptic equations with nonlocal boundary conditions is studied in plane domains. Necessary and sufficient conditions upon the right-hand side of the problem and nonlocal operators under which the generalized solutions possess an appropriate smoothness are established.