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991.
992.
993.
An extension of a simplified method for molecular correlation energy calculations to molecules containing third row atoms is presented. In addition to the use of pseudo-potentials in the calculations, the consequences of this extension on the different components of the energy partition which is the basic idea of the method, is analysed. Particular emphasis is placed on the specific role played by the 3d orbitals in each of the energy components. First, at the zeroth order, the energy is found to be very sensitive to the optimization of the 3d polarization functions. Secondly, the internal correlation energy, calculated by CI, requires the optimization of distinct 3d correlation orbitals to describe adequately the strong near-degeneracy effects that occur within the valence space. Finally it is shown that the 3d orbitals contribute partially to the non-internal correlation energy and that, the atoms-in-molecule structures corresponding typically to all-external contributions are negligible. The concept of error energy is introduced in place of the non-internal correlation energy: it includes the relativistic contributions within the semi-empirical tables. Such tables are presented for second row atoms and for the chlorine atom. From these tables, predicted values for some atomic term energies, experimentally undetermined, are derived. The methodological tests are limited here to the chlorine atom which is chosen for further applications in the next paper of this series. The conclusions concerning the applicability of the method to third row atoms are however quite general.Boursier I.R.S.I.A 相似文献
994.
Marian Matłoka 《Fuzzy Sets and Systems》1985,15(3):255-262
In this paper a Fixed-Point Theorem and an application is presented. 相似文献
995.
William E. Stein 《Fuzzy Sets and Systems》1985,15(3):263-267
Several recent papers have discussed an extension of decision analysis: both the rewards and probabilities are modelled using fuzzy sets. However, arbitrary specification of the membership functions of the fuzzy probabilities in these models may lead to internal inconsistencies. To avoid this, the fuzzy beta possibility distribution is introduced. 相似文献
996.
The concept of cardinality of a fuzzy set has received attention from several researchers and has been defined in several apparently independent manners. A systematic investigation of this notion is performed which unifies and improves previous attempts. The cardinality of a fuzzy set, viewed as a fuzzy integer, is related to scalar cardinality indices. The closely related question of the probability of a fuzzy event is dealt with. Lastly, the usefulness of fuzzy cardinality for meaning representation of statements or queries involving fuzzy linguistic quantifiers is emphasized. 相似文献
997.
In this paper new topological concepts connected with fuzzy multi-valued functions theory-as presented in the first part of this work-are introduced and their properties are investigated. As will be shown in future papers these concepts and properties are indispensable in connection with the analysis of fuzzy economic systems. 相似文献
998.
Shan-Huo Chen 《Fuzzy Sets and Systems》1985,17(2):113-129
Up to now, these are five methods of ranking n fuzzy numbers in order, but these methods contain some confusions and occasionally conflict with intuition. This paper introduces the concept of maximizing set and minimizing set to decide the ordering value of each fuzzy number and uses these values to determine the order of the n fuzzy numbers. In addition, we give a method for calculating the ordering value of each fuzzy number with triangular, trapezoidal, and two-sided drum-like shaped membership functions. 相似文献
999.
1000.
We introduce the concept of κ-analytic and κ-Luzin spaces as images of complete metric spaces by (disjoint) upper semi-continuous compact-valued correspondences which “preserve discreteness” in some sence (Definition in Section 3.1). The case κ = ω coincides with (Lindelöf) analytic spaces studied by Choquet, the first author and others. The main results are characterizations of uniform analytic spaces in terms of other parametrizations, complete sequences of covers, and Suslin subsets of some product of a compact and a complete metric space (Theorems in Section 3.2 and in Section 4), and characterizations of topological analytic spaces as Suslin subsets of paracompact ?ech-complete spaces (Theorem in Section 5). 相似文献