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• Explicit functionals .
• After the discovery of the DF theory and the invention of the KS scheme making the theory amenable to explicit calculations a large amount of different exchange and correlation functionals have been proposed. ...
• The first functionals (proposed by Hohenberg and Kohn  5 ) start from the corresponding expressions for the homogeneous electron gas and are thus valid for systems with slowly varying electron density. These functionals only include the density but not the gradient of the density at a given point and are called LDA functionals (local density approximation). More elaborate functionals are corrected for contributions including the gradient of the density (GGA: generalized gradient approximation). Hüsser showed in his thesis  12 that the results for some selected observables like the EFGs do not appreciably depend upon the chosen gradient corrected functionals. ... 1 also the values for the chemical shielding tensors are not too much dependent on the used functionals. ...
• Due to the failure of the LDA functionals in Mott insulators, functionals including a parameter describing the on-site repulsion (from the Hubbard model) that artificially favor localized magnetic moments instead of itinerant electrons have been proposed. We have ignored these so-called LDA+U functionals aiming at keeping the number of adjustable parameters as low as possible. We think that it is closer to the idea of the ab initio approach to use functionals that are good approximations for the corresponding energy of any electron density in the considered system. ...

• On supremal functionals defined in BV.
• Keywords: lower semicontinuity, supremal functionals, BV-functions.
• Abstract: This paper is devoted to the study of the lower semicontinuity properties of suitable supremal functionals defined on the space of the functions of bounded variation. The main tool in the proofs is a lower semicontinuity theorem for supremal functionals defined on measures that is inspired to the classical Reshetnyak theorem in which integral functionals are involved.

• On quadratic functionals of the Brownian sheet and related processes.
• Résumé: Motivated by asymptotic problems in the theory of empirical processes, and specifically by tests of independence, we study the law of quadratic functionals of the (weighted) Brownian sheet and of the bivariate Brownian bridge on $\left 0,1\right ^{2}$. In particular: (i) we use Fubini type techniques to establish identities in law with quadratic functionals of other Gaussian processes, (ii) we explicitly calculate the Laplace transform of such functionals by means of Karhunen-Loève expansions, (iii) we prove central and non-central limit theorems in the same spirit of Peccati and Yor (2004) and Nualart and Peccati (2004). ...
• Mots Clés: Empirical processes ; quadratic functionals ; Fubini argument.

• Exchange-Correlation Functionals Available .
• The following exchange-correlation functionals are available for all four modules (DSCF, GRAD, RIDFT, and RDGRAD): .
• A combination of the Slater-Dirac exchange and Vosko, Wilk, and Nusair 1980 (functional V) correlation functionals (S-VWN) 26,27,28 . ...
• A combination of the Slater-Dirac exchange and Perdew-Wang (1992) correlation functionals 26,27,29 . ...
• A combination of the Slater-Dirac exchange and Becke's 1988 exchange functionals (B88) 26,27,30 . ...
• The B-LYP exchange-correlation functional (B88 exchange and LYP correlation functionals) 26,27,30,31 . ...
• The B-VWN exchange-correlation functional (B88 exchange and VWN (V) correlation functionals) 26,27,30,28 . ...
• Perdew's 1986 correlation functionals) 26,27,30,28,32 . ...
• Additionally, for the DSCF and GRAD modules following hybrid functionals are available (a mixture of Hartree-Fock exchange with DFT exchange-correlation functionals): .
• where PBE(X) and PBE(C) are the Perdew-Burke-Ernzerhof exchange and correlation functionals and PW is the Perdew-Wang correlation functional 26,27,29,33,36 . ...

• The Digital Librarian's Digital Library searchDOCIS Documents in Computing and Information Science Home >> Journals and Conference Proceedings >> Journal of Computational Chemistry  Investigation of the use of density functionals in second- and third-row transition metal dimer calculations Susumu Yanagisawa, Takao Tsuneda, Kimihiko Hirao  Journal Title: Journal of Computational Chemistry Date: 2001 Volume: 22 Issue: 16 p. ...

• CPMD-list HCTH functionals .
• Previous message: CPMD-list HCTH functionals .
• Next message: CPMD-list HCTH functionals .
• However, these are not included in the library of functionals that I have, but I have seen in the manual that CPMD does support these functionals. I was wondering if anyone knew how to get these functionals and if anyone had had much success with them? > > Thanks, > Jenn Ciezak > Syracuse University > Dept of Chemistry > Syracuse, NY 13244 > .
• Previous message: CPMD-list HCTH functionals .
• Next message: CPMD-list HCTH functionals .

• Energy and Potential XC Functionals.
• The post-SCF generalized gradient (GGA) corrections for the exchange and the correlation energies (each for a few different functionals) are calculated and printed on output. ...

• The Adaptive Computation of Far-Field Patterns by A Posteriori Error Estimation of Linear Functionals.
• The Adaptive Computation of Far-Field Patterns by A Posteriori Error Estimation of Linear Functionals: SIAM Journal on Numerical Analysis Vol. ... 1This paper is concerned with the derivation of a priori and a posteriori error bounds for a class of linear functionals arising in electromagnetics which represent the far-field pattern of the scattered electromagnetic field. ...

• RE: EFM RE: OAM functionals.
• Subject: RE: EFM RE: OAM functionals .
• Thread-Topic: EFM RE: OAM functionals .
• -faye -----Original Message----- From: Roy Bynum mailto:rabynum@xxxxxxxxxxxxxx Sent: Tuesday, September 25, 2001 7:32 AM To: ah_smith@xxxxxxxxxxx Cc: stds-802-3-efm Subject: EFM RE: OAM functionals Andrew, These were not rhetorical questions. ... > >Looking forward to learning more, > >Andrew Smith > > >-----Original Message----- >From: Roy Bynum mailto:rabynum@xxxxxxxxxxxxxx >Sent: Monday, September 24, 2001 5:49 PM >To: ah_smith@xxxxxxxxxxx >Cc: stds-802-3-efm >Subject: OAM functionals > > >Andrew, > >Lets start a new thread. ...
• RE: EFM RE: OAM functionals .
• Prev by Date: RE: EFM RE: OAM functionals .
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• Re: R Evaluation of functionals.
• Next message: Eric Lecoutre: "Re: R Evaluation of functionals" .
• Previous message: Hadley Wickham: "Re: R Evaluation of functionals" .
• In reply to: Søren Højsgaard: " R Evaluation of functionals" .
• Next in thread: Eric Lecoutre: "Re: R Evaluation of functionals" .
• Next message: Eric Lecoutre: "Re: R Evaluation of functionals" .
• Previous message: Hadley Wickham: "Re: R Evaluation of functionals" .
• In reply to: Søren Højsgaard: " R Evaluation of functionals" .
• Next in thread: Eric Lecoutre: "Re: R Evaluation of functionals" .

• Degenerate Lyapunov functionals and a prey-predator model with discrete delays.
• To study the stability of the positive equilibrium of the general system, we then introduce the concept of degenerate Lyapunov functionals. By constructing suitable degenerate Lyapunov functionals, we obtain some sufficient conditions on both local and global stabilities of the positive equilibrium. ...
• degenerate Lyapunov functionals. ...

• Global Investor | GI Bookshop | Harriman House | Financial Conferences | Finance Glossary | Investor Education | Derivatives | Financial Gurus --> Home Search Shopping basket Search the bookshop  Bestsellers New Bargains Bundles Magazines Free stuff Forum Recommendations Coming soon Gurus Reviews Global-Investor > Bookshop > Books > Exponential Functionals of Brownian Motion and Related Processes by Marc Yor .
• Exponential Functionals of Brownian Motion and Related Processes.
• Description of Exponential Functionals of Brownian Motion and Related Processes.
• These functionals play an important role in Mathematical Finance, as well as in (probabilistic) studies related to hyperbolic geometry, and also to random media. Throughout the volume, connections with more recent studies involving exponential functionals of Lévy processes are indicated. ...
• Contents of Exponential Functionals of Brownian Motion and Related Processes.
• Functionals of Brownian Motion in Finance and in Insurance by Helyette Geman 1. On Certain Exponential Functionals of Real-Valued Brownian Motion J. ... On Some Exponential Functionals of Brownian Motion Adv. ... The Laws of Exponential Functionals of Brownian Motion, Taken at Various Random Times C. ... Further Results on Exponential Functionals of Brownian Motion 7. ... On Exponential Functionals of Certain Levy Processes Stochastics and Stochastic Rep. ... On Some Exponential-integral Functionals of Bessel Processes Mathematical Finance, Vol. ... Exponential Functionals of Brownian Motion and Disordered Systems J. ...

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