Discovering similarities in the time use patterns of the Spanish Autonomous Communities by Fuzzy techniques

In 2000 the European Statistical Office published the guidelines for developing the Harmonized European Time Use Surveys system. Under such a unified framework, the first Time Use Survey of national scope was conducted in Spain during 2002– 03. The aim of these surveys is to understand human behavior and the lifestyle of people. Time allocation data are of compositional nature in origin, that is, they are subject to non-negativity and constant-sum constraints. Thus, standard multivariate techniques cannot be directly applied to analyze them. The goal of this work is to identify homogeneous Spanish Autonomous Communities with regard to the typical activity pattern of their respective populations. To this end, fuzzy clustering approach is followed. Rather than the hard partitioning of classical clustering, where objects are allocated to only a single group, fuzzy method identify overlapping groups of objects by allowing them to belong to more than one group. Concretely, the probabilistic fuzzy c-means algorithm is conveniently adapted to deal with the Spanish Time Use Survey microdata. As a result, a map distinguishing Autonomous Communities with similar activity pattern is drawn. Key words: Time use data, Fuzzy clustering; FCM; simplex space; Aitchison distance

Effective atomic orbitals for fuzzy atoms

The method of extracting effective atomic orbitals and effective minimal basis sets from molecular wave function characterizing the state of an atom in a molecule is developed in the framework of the "fuzzy" atoms. In all cases studied, there were as many effective orbitals that have considerable occupation numbers as orbitals in the classical minimal basis. That is considered to be of high conceptual importance

Energy partitioning for "fuzzy" atoms

The total energy of molecule in terms of 'fuzzy atoms' presented as sum of one- and two-atomic energy components is described. The divisions of three-dimensional physical space into atomic regions exhibit continuous transition from one to another. The energy components are on chemical energy scale according to proper definitions. The Becke's integration scheme and weight function determines realization of method which permits effective numerical integrations