Search results for "Derivative"
showing 10 items of 1074 documents
Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants
2002
A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a dir…
Weighting non-covalent forces in the molecular recognition of C60. Relevance of concave–convex complementarity
2008
The relative contributions of several weak intermolecular forces to the overall stability of the complexes formed between structurally related receptors and [60]fullerene are compared, revealing a discernible contribution from concave–convex complementarity. Viruela Martin, Pedro Manuel, Pedro.M.Viruela@uv.es ; Viruela Martin, Rafael, Rafael.Viruela@uv.es ; Orti Guillen, Enrique, Enrique.Orti@uv.es
On Pareto optima, the Fermat-Weber problem, and polyhedral gauges
1990
This paper deals with multiobjective programming in which the objective functions are nonsymmetric distances (derived from different gauges) to the points of a fixed finite subset of ℝn. It emphasizes the case in which the gauges are polyhedral. In this framework the following result is known: if the gauges are polyhedral, then each Pareto optimum is the solution to a Fermat—Weber problem with strictly positive coefficients. We give a new proof of this result, and we show that it is useful in finding the whole set of efficient points of a location problem with polyhedral gauges. Also, we characterize polyhedral gauges in terms of a property of their subdifferential.
Symmetric logarithmic derivative of Fermionic Gaussian states
2018
In this article we derive a closed form expression for the symmetric logarithmic derivative of Fermionic Gaussian states. This provides a direct way of computing the quantum Fisher Information for Fermionic Gaussian states. Applications ranges from quantum Metrology with thermal states and non-equilibrium steady states with Fermionic many-body systems.
Optimal Flight Path Determination in Turbulent Air: A Modified EKF Approach
2017
By using the Extended Kalman Filter an accurate path following in turbulent air is performed. The procedure employs simultaneously two different EKFs: the first one estimates disturbances, the second one affords to determine the necessary controls displacements for rejecting those ones. To tune the EKFs an optimization algorithm has been designed to automatically determine Process Noise Covariance and Measurement Noise Covariance matrices. The first filter, by using instrumental measurements gathered in turbulent air, estimates wind components. The second one obtains command laws able to follow the desired flight path. To perform this task aerodynamic coefficients have been modified. Such a…
Multi-Agent Financial Network (MAFN) Model of US Collateralized Debt Obligations (CDO)
2014
A database driven multi-agent model has been developed with automated access to US bank level FDIC Call Reports that yield data on balance sheet and off balance sheet activity, respectively, in Residential Mortgage Backed Securities (RMBS) and Credit Default Swaps (CDS). The simultaneous accumulation of RMBS assets on US banks’ balance sheets and also large counterparty exposures from CDS positions characterized the $2 trillion Collateralized Debt Obligation (CDO) market. The latter imploded at the end of 2007 with large scale systemic risk consequences. Based on US FDIC bank data, that could have been available to the regulator at the time, the authors investigate how a CDS negative carry …
Finite element method on fractional visco-elastic frames
2016
Viscoelastic behavior is defined by fractional operators.Quasi static FEM analysis of frames with fractional constitutive law is performed.FEM solution is decoupled into a set of fractional Kelvin Voigt elements.Proposed approach could be easily integrated in existing FEM codes. In this study the Finite Element Method (FEM) on viscoelastic frames is presented. It is assumed that the Creep function of the constituent material is of power law type, as a consequence the local constitutive law is ruled by fractional operators. The Euler Bernoulli beam and the FEM for the frames are introduced. It is shown that the whole system is ruled by a set of coupled fractional differential equations. In q…
Existence and uniqueness of solutions to superdifferential equations
1993
Abstract We state and prove the theorem of existence and uniqueness of solutions to ordinary superdifferential equations on supermanifolds. It is shown that any supervector field, X = X0 + X1, has a unique integral flow, Г: R 1¦1 x (M, AM) → (M, AM), satisfying a given initial condition. A necessary and sufficient condition for this integral flow to yield an R 1¦1-action is obtained: the homogeneous components, X0, and, X1, of the given field must define a Lie superalgebra of dimension (1, 1). The supergroup structure on R 1¦1, however, has to be specified: there are three non-isomorphic Lie supergroup structures on R 1¦1, all of which have addition as the group operation in the underlying …
An EKF Based Method for Path Following in Turbulent Air
2017
An innovative use of the Extended Kalman Filter (EKF) is proposed to perform both accurate path following and adequate disturbance rejection in turbulent air. The tuned up procedure employs simultaneously two different EKF: the first one estimates gust disturbances, the second one estimates modified aircraft parameters. The first filter, by using measurements gathered in turbulent air, estimates both aircraft states and wind components. The second one, by using the estimated disturbances, obtains command laws that are able to reject disturbances. The predictor of the second EKF uses the estimated wind components to solve motion equations in turbulent air. Besides a set of unknown stability …
Lie algebra on the transverse bundle of a decreasing family of foliations
2010
Abstract J. Lehmann-Lejeune in [J. Lehmann-Lejeune, Cohomologies sur le fibre transverse a un feuilletage, C.R.A.S. Paris 295 (1982), 495–498] defined on the transverse bundle V to a foliation on a manifold M, a zero-deformable structure J such that J 2 = 0 and for every pair of vector fields X , Y on M: [ J X , J Y ] − J [ J X , Y ] − J [ X , J Y ] + J 2 [ X , Y ] = 0 . For every open set Ω of V, J. Lehmann-Lejeune studied the Lie Algebra L J ( Ω ) of vector fields X defined on Ω such that the Lie derivative L ( X ) J is equal to zero i.e., for each vector field Y on Ω : [ X , J Y ] = J [ X , Y ] and showed that for every vector field X on Ω such that X ∈ K e r J , we can write X = ∑ [ Y ,…