Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 261 for “"Linear Combination"”.
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The Unreasonable Usefulness of Approximation by Linear Combination
… of accurate electronic structure calculations to linear. Meaning, that the total time to solution for the calculation grows at the same rate as the number of particles that are correlated. Multiple techniques for exploiting data-sparsity are discussed, with a focus on those that can be …
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Toward high thermoelectric performance of solids: ab initio forces within the orthogonalized linear combination of atomic orbitals method
… ab initio calculations using the Orthogonalized Linear Combination of Atomic Orbitals (OLCAO) method. The approach is based on the Hellmann-Feynman (HF) theorem and Pulay forces in the presence of an atomic orbital basis set. To accomplish this, we offered a thorough derivation of a HF theorem …
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Introduction of a Fully Relativistic Capable Basis Set in the ab initio Orthogonalized Linear Combination of Atomic Orbitals Method
Large simulation cell sizes, relativistic effects, and the need to correctly model excited state properties are major impediments to the accurate prediction of the optical properties of candidate materials for solid-state laser crystal and luminescent applications. To overcome these challenges, new …
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Electronic Structure in the Organic-based Magnet [Feᴵᴵ(TCNE)(NCMe)₂][FeᴵᴵᴵCl₄] using the Orthogonalized Linear Combination of Atomic Orbitals Method with Hubbard U
… using the Orthogonalized Linear Combination of Atomic Orbitals (OCLAO) methods. The Local Spin Density Approximation (LSDA) method plus the Hubbard U parameter is used to account for on-site atomic Coulombic repulsion and exchange correlation interactions for the d orbitals …
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Electronic Structure of Three Center Two Electron Bonds in Boron Rich Materials: A Study of Molecules, Crystals, and Amorphous Solids using the ab initio Orthogonalized Linear Combination of Atomic Orbitals Method
… Population Analysis within the Orthogonalized Linear Combination of Atomic Orbitals method.
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A Bound for the Irrationality Measure of & zeta(3)
… Results are presented in three steps: a linear combination of 1 and &zeta(3) depending on certain parameters is expressed as a triple integral, a description of the group of permutations of the parameters in this triple integral is presented, and the asymptotic behavior of this linear …
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The Relationship Between Trauma-Related Shame, Disordered Behaviors, and Contextual Factors of Sexual Trauma Beyond Trait-Shame and Sex-Guilt
… of non-sexual trauma. Age was related to the linear combination of trauma-related shame and risk-taking motivations. Furthermore, contact, relationship, and disclosure were related to the linear combination of trauma-related shame but not risk-taking motivations. Additionally, in all analyses, …
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A novel approach to multiple reference frequency domain adaptive control
… design issue. Simply adding the references in a linear combination can result in a signal which is not coherent at any frequency. Appropriately amplifying and suppressing coherent and incoherent signals prior to their linear combination can result in a signal which accurately represents the …
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Deformation-invariant sparse coding
… coding represents input signals each as a sparse linear combination of a set of basis or dictionary elements where sparsity encourages representing each input signal with a few of the most indicative dictionary elements. In this thesis, we extend sparse coding to allow dictionary elements to …
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An Isoperimetric Inequality for Fundamental Tones of Free Plates
… ball as trial functions. These solutions are a linear combination of Bessel and modified Bessel functions.
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Exploring Peer Perspectives on Autistic Students: A Vignette Study
… as independent variables on the effect of the linear combination of reading comprehension, false memories, and social distance scores were run. The multivariate analyses turned out significant results for the effect of autism disclosure and the interaction of autism disclosure and vignette …
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Measurement of the Strange Quark Contribution to Proton Structure Through Parity Violating Electron -Proton Scattering
… (GeV/c) 2 a consistently positive value for the linear combination of the strange form factors is seen.
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Analysis of crystallographic texture information by the hyperspherical harmonic expansion
… orientation information is written as a linear combination of the generalized spherical harmonics. Since the use of generalized spherical harmonics requires that orientations be described by sets of Euler angles, the field of texture analysis suffers from the inherent limitations of Euler …
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Bayes-suggested solutions in binomial estimation
… probability of "success": estimation of a linear combination of independent binomial probabilities; fixed precision estimation of the binomial probability; and estimation of the logit transformation of the binomial probability. A Bayesian viewpoint is adopted temporarily to "suggest" a wide …
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Parameter identification in distributed structures
… motion of a distributed parameter system by a linear combination of the associated modes of vibration. In theory, we have an infinite set of modes although, in practice we are concerned with only a finite linear combination of the modes. The modes of vibration possess certain properties which …
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Competitive Nucleation in Nanoclusters
… the different phases. The results show that the linear combination of size and surface area of a given component is the accurate variable that describes the transition to the phase. Molecular dynamics simulations are used to study the competitive freezing of gold nanoclusters for a range of …
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A Combinatorial Proof of the Positivity of the Lusztig q-Analogue of Weight Multiplicity for Rank 2 Lie Algebras
… in the polynomial can be interpreted as a linear combination of positive roots. We prove that all negative coefficients are cancelled in the polynomial. Further, the analysis of the root systems allows us to state formulae for every coefficient in Lusztig's q-analogue for rank 2 Lie …
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Diskriminative Modellkombination in Spracherkennungssystemen mit großem Wortschatz
In this work, the theory of Discriminative Model Combination, DMC, is developed and implemented for large vocabulary continuous speech recognition. DMC is based on a discriminative training of the free parameters of distributions belonging to the exponential family. It is independent of the …
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Seismic Damage Analysis and Damage-Limiting Design for R/c Structures (Earthquake, Building, Reliability, Design)
… motions is proposed. Damage is expressed as a linear combination of the maximum deformation and the effect of repeated cyclic loadings. Available static (monotonic) and dynamic (cyclic) test data were analyzed to evaluate the statistics of the appropriate parameters of the proposed model. …
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