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Á. Nagy

Publications and source records attributed to Á. Nagy.

2 recordsLinked to original sources

On a special class of equidistant sets in the Euclidean space

An equidistant set in the Euclidean space consists of points having equal distances to both members of a given pair of sets, called focal sets. Since there is no effective formula to compute the distance of a point and a set, it is hard to determine the points of an equidistant set in general. Therefore, it is important to investigate some special cases. In the paper we investigate equidistant sets that can be given as the graph of a function. They are called equidistant functions. In the previously examined conceptual model, one of the focal sets is the horizontal hyperplane through the origin and the other one is the epigraph of a positive-valued, continuous function. The equidistant points form the graph of another function over the hyperplane. In a general situation, the hyperplane is the first-order (linear) approximation for one of the focal sets. A natural idea is to substitute the hyperplane by a circle (sphere) as a second-order (quadratic) approximation for one of the focal sets in more complicated cases. Such a generalization results in a new type of equidistant functions we are going to investigate in the present paper. Before considering the special cases in detail, we present some general observations: a necessary and sufficient condition for the existence of equidistant points along the vertical lines, upper/lower equidistant functions, equidistant functions, a necessary and sufficient condition for the existence of the equidistant function, equidistant functions and the minimum operator (a kind of commuting property).

math.MG

Spherically symmetric density and potential of a hydrogen molecule

Using a hydrogen molecule as a test system we demonstrate how to compute the effective potential according to the formalism of the new density functional theory (DFT), in which the basic variable is the set of spherically averaged densities instead of the total density, used in the traditional DFT. The effective potential together the external potential, nuclear Coulomb potential, can be substituted in the Schrödinger like differential equation to obtain the spherically averaged electron density of the system. In the new method instead of one three-dimensional low symmetry equation one has to solve as many spherically symmetric equations as there are atoms in the system.

physics.chem-ph