New basis sets for the evaluation of interaction‐induced electric properties in hydrogen‐bonded complexes

Interaction‐induced static electric properties, that is, dipole moment, polarizability, and first hyperpolarizability, of the CO? (HF)_n and N₂? (HF)_n, n = 1–9 hydrogen‐bonded complexes are evaluated within the finite field approach using the Hartree–Fock, density functional theory, Møller–Plesset second‐order perturbation theory, and coupled cluster methods, and the LPol‐n (n = ds, dl, fs, fl) basis sets. To compare the performance of the different methods with respect to the increase of the complex size, we consider as model systems linear chains of the complexes. We analyze the results in terms of the many‐body and cooperative effects. © 2012 Wiley Periodicals, Inc.     

Polarization functions for the modified m6‐31G basis sets for atoms Ga through Kr

The 2df polarization functions for the modified m6‐31G basis sets of the third‐row atoms Ga through Kr (Int J Quantum Chem, 2007, 107, 3028; Int J. Quantum Chem, 2009, 109, 1158) are proposed. The performances of the m6‐31G, m6‐31G(d,p), and m6‐31G(2df,p) basis sets were examined in molecular calculations carried out by the density functional theory (DFT) method with B3LYP hybrid functional, Møller‐Plesset perturbation theory of the second order (MP2), quadratic configuration interaction method with single and double substitutions and were compared with those for the known 6‐31G basis sets as well as with the other similar 641 and 6‐311G basis sets with and without polarization functions. Obtained results have shown that the performances of the m6‐31G, m6‐31G(d,p), and m6‐31G(2df,p) basis sets are better in comparison with the performances of the known 6‐31G, 6‐31G(d,p) and 6‐31G(2df,p) basis sets. These improvements are mainly reached due to better approximations of different electrons belonging to the different atomic shells in the modified basis sets. Applicability of the modified basis sets in thermochemical calculations is also discussed. © 2013 Wiley Periodicals, Inc.     

Annihilating sets for the short time Fourier transform

We obtain a class of subsets of R2d such that the support of the short time Fourier transform (STFT) of a signal f∈L²(Rd) with respect to a window g∈L²(Rd) cannot belong to this class unless f or g is identically zero. Moreover we prove that the L²-norm of the STFT is essentially concentrated in the complement of such a set. A generalization to other Hilbert spaces of functions or distributions is also provided. To this aim we obtain some results on compactness of localization operators acting on weighted modulation Hilbert spaces.     

Finite-dimensional global attractors in Banach spaces

We provide bounds on the upper box-counting dimension of negatively invariant subsets of Banach spaces, a problem that is easily reduced to covering the image of the unit ball under a linear map by a collection of balls of smaller radius. As an application of the abstract theory we show that the global attractors of a very broad class of parabolic partial differential equations (semilinear equations in Banach spaces) are finite-dimensional.     

Motzkin decomposition of closed convex sets

Theodore Motzkin proved, in 1936, that any polyhedral convex set can be expressed as the (Minkowski) sum of a polytope and a polyhedral convex cone. This paper provides five characterizations of the larger class of closed convex sets in finite dimensional Euclidean spaces which are the sum of a compact convex set with a closed convex cone. These characterizations involve different types of representations of closed convex sets as the support functions, dual cones and linear systems whose relationships are also analyzed in the paper. The obtaining of information about a given closed convex set F and the parametric linear optimization problem with feasible set F from each of its different representations, including the Motzkin decomposition, is also discussed.     

Exclusive and essential sets of implicates of Boolean functions

In this paper we study relationships between CNF representations of a given Boolean function f and certain sets of implicates of f. We introduce two definitions of sets of implicates which are both based on the properties of resolution. The first type of sets, called exclusive sets of implicates, is shown to have a functional property useful for decompositions. The second type of sets, called essential sets of implicates, is proved to possess an orthogonality property, which implies that every CNF representation and every essential set must intersect. The latter property then leads to an interesting question, to which we give an affirmative answer for some special subclasses of Horn Boolean functions.     

Fuzzy adaptive decision-making for boundedly rational traders in speculative stock markets

The development of new models that would enhance predictability for time series with dynamic time-varying, nonlinear features is a major challenge for speculators. Boundedly rational investors called “chartists” use advanced heuristics and rules-of-thumb to make profit by trading, or even hedge against potential market risks. This paper introduces a hybrid neurofuzzy system for decision-making and trading under uncertainty. The efficiency of a technical trading strategy based on the neurofuzzy model is investigated, in order to predict the direction of the market for 10 of the most prominent stock indices of U.S.A, Europe and Southeast Asia. It is demonstrated via an extensive empirical analysis that the neurofuzzy model allows technical analysts to earn significantly higher returns by providing valid information for a potential turning point on the next trading day. The total profit of the proposed neurofuzzy model, including transaction costs, is consistently superior to a recurrent neural network and a Buy & Hold strategy for all indices, particularly for the highly speculative, emerging Southeast Asian markets. Optimal prediction is based on the dynamic update and adaptive calibration of the heuristic fuzzy learning rules, which reflect the psychological and behavioral patterns of the traders.     

Soft set theory and uni–int decision making

We firstly redefine the operations of Molodtsov’s soft sets to make them more functional for improving several new results. We also define products of soft sets and uni–int decision function. By using these new definitions we then construct an uni–int decision making method which selects a set of optimum elements from the alternatives. We finally present an example which shows that the method can be successfully applied to many problems that contain uncertainties.     

Games on fuzzy communication structures with Choquet players

Myerson (1977) used graph-theoretic ideas to analyze cooperation structures in games. In his model, he considered the players in a cooperative game as vertices of a graph, which undirected edges defined their communication possibilities. He modified the initial games taking into account the graph and he established a fair allocation rule based on applying the Shapley value to the modified game. Now, we consider a fuzzy graph to introduce leveled communications. In this paper players play in a particular cooperative way: they are always interested first in the biggest feasible coalition and second in the greatest level (Choquet players). We propose a modified game for this situation and a rule of the Myerson kind.     

Odd‐sized partitions of Russell‐sets

In the setting of ZF, i.e., Zermelo–Fraenkel set theory without the Axiom of Choice (AC), we study partitions of Russell‐sets into sets each with exactly n elements (called n ‐ary partitions), for some integer n. We show that if n is odd, then a Russell‐set X has an n ‐ary partition if and only if |X | is divisible by n. Furthermore, we establish that it is relative consistent with ZF that there exists a Russell‐set X such that |X | is not divisible by any finite cardinal n > 1 (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)