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Showing 1 to 20 of 223 for “"Functionals."”.
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Invariant functionals
… work. I. A. Barnett gave a few examples of functionals invariant under one-parameter continuous groups of transformations in the space of continuous functions. The systematic study of functionals invariant under continuous groups of transformations in function space, and also the study of …
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Theory of density functionals
<p>Density functional theory is an alternative quantum mechanical theory that offers simple ways of performing calculations of the electronic properties of matter. Many different methods derive from density functional theory. The most appealing for its simplicity and rigor is the theory of Kohn and …
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Dynamic systems and subadditive functionals
… time. To that order, we introduce a class of functionals we call the Quasi-Euclidean functionals, and use them to study such problems for dynamic systems. We determine the asymptotic behavior of the costs of these problems, when the points are randomly distributed and their number tends to …
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Integral Representations of Positive Linear Functionals
… integral representations for positive linear functionals on commutative algebras with involution and semigroups with involution. We prove Bochner and Plancherel type theorems for representations of positive functionals and show that, under some conditions, the Bochner and Plancherel …
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A study of super-KMS functionals
We study properties of super-KMS functionals on ℤ₂ graded von Neumann algebras. We prove that if a normal self-adjoint functional ω is weakly super-KMS, then the uniquely defined by the polar decomposition of ω positive functional |ω| is KMS. We construct a graded representation of any von Neumann …
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Gauss-type formulas for linear functionals
… a general problem of approximating for linear functionals; our results need further development.
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Hybrid density functionals with proper exact exchange
Hybrid density functionals have the best overall performance among standard density func-tional approximations (DFA). According to their original design, hybrid DFAs are supposedto use the exact exchange (EXX). However, when hybrid functionals were originally intro-duced, there was no simple method …
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Growth comparisons for certain Nevanlinna theory functionals
We show that for all entire f with $\vert{\rm f}(0)\vert\ge 1$ and all ${\rm r}>0$, $$\rm log\ M(r,f)\le d\sb\alpha T(r,f)\sp{1\over 2}T(\alpha r,f)\sp{1\over 2},\leqno(*)$$and$$\rm m\sbsp{p}{+}(r,f)\le d\sbsp{\alpha}{p-1\over p}\ T(r,f)\sp{p+1\over 2p}\ T(\alpha r,f)\sp{p-1\over 2p},$$where …
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Hitchin Functionals, h-Principles and Spectral Invariants
This thesis investigates Hitchin functionals and $h$-principles for stable forms on oriented manifolds, with a special focus on $\mathrm{G}_2$ and $\widetilde{\mathrm{G}}_2$ 3- and 4-forms. Additionally, it introduces two new spectral invariants of torsion-free $\mathrm{G}_2$-structures. Part I …
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Orbital Functionals in Time-Dependent Density-Functional Theory
The subject of this work are orbital functionals in density-functional theory (DFT). After a short introduction the basic ideas of static and time-dependent DFT are presented in Chap. 2. In this chapter the advantages and disadvantages of common approximations for the exchange-correlation (xc) …
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Representable functionals and derivations on Banach quasi *-algebras
… of the work concerns the study of representable functionals and their properties. The analysis is carried through the key notions of \textit{fully representability} and \textit{*-semisimplicity}, appeared in the literature in \cite{Ant1,Bag1,Bag5,Frag2}. In the case of Banach quasi *-algebras, …
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Spaces of continuous linear functionals on function spaces
… a study of several spaces of continuous linear functionals on various function spaces with a natural norm inherited from a larger Banach space. The completeness of these normed linear spaces is studied in detail and several necessary and sufficient conditions are obtained in this regard. Since …
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Correcting the Self-Interaction Error of Approximate Density Functionals
… that PZ-SIC impairs the accuracy of semi-local functionals for equilibrium properties. PZ-SIC seems to overcorrect many-electron systems. We devised a modified version of the SIC, which is scaled down in many-electron regions. The scaled-down SIC has greatly improved performance for many …
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Some convergence properties of Minkowski functionals given by polytopes
1 PDF file (vii, 28 pages)
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Orbital Dependent Functionals: An Atom Projector Augmented Wave Method Implementation
… of orbital dependent exchange-correlation functionals within
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Curvature-dependent functionals: applications to membrane models and geometric flows
L'abstract è presente nell'allegato / the abstract is in the attachment
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