Test for basis-set errors in relativistic Dirac-Fock-Slater calculations with a numerical AO-DFS-basis

A fully relativistic four-component Dirac-Fock-Slater program for diatomics, with numerically given AO's as basis functions is presented. We discuss the problem of the errors due to the finite basis-set, and due to the influence of the negative energy solutions of the Dirac Hamiltonian. The negative continuum contributions are found to be very small.

Iceberg query lattices for datalog

In this paper we study two orthogonal extensions of the classical data mining problem of mining association rules, and show how they naturally interact. The first is the extension from a propositional representation to datalog, and the second is the condensed representation of frequent itemsets by means of Formal Concept Analysis (FCA). We combine the notion of frequent datalog queries with iceberg concept lattices (also called closed itemsets) of FCA and introduce two kinds of iceberg query lattices as condensed representations of frequent datalog queries. We demonstrate that iceberg query lattices provide a natural way to visualize relational association rules in a non-redundant way.