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 4 of 4 for “"Gaussian Basis Functions"”.
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Very Accurate Quantum Mechanical Non-Relativistic Spectra Calculations of Small Atoms & Molecules Employing All-Particle Explicitly Correlated Gaussian Basis Functions
… the BO approximation using explicitly correlated Gaussian (ECG) basis functions. The physical systems studied in this dissertation are the atomic elements with Z < 7 (although the discussion is not limited to these) and diatomic molecules such as H₂⁺ and H₂ including nuclear isotopic substitution …
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Estimation theoretical image restoration
… colored or monochromatic. Using a mixture of Gaussian and Poisson noise process, we derived an objective function to estimate the unknown object and point spread function (psf) parameters. We have found that, without constraint enforcement, this blind deconvolution algorithm tended to converge …
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Enabling Electronic Structure Calculations of High Z Element Containing Materials Using Dirac Relativistic DFT Methods
… consideration of a localized orbital basis set and energy calculation was devised. This work presents a novel scheme for the creation of single-component scalar relativistic and four-component fully relativistic atomic orbital basis sets of Gaussian-type functions. A minimal norm least …
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The multi Davydov-Ansatz
… many-body wave function in terms of moving Gaussian basis functions, to illuminate several aspects of open quantum system dynamics and quantum many-body theory. By two artifices alongside the time-dependent variational principle we extract from this Ansatz, commonly considered ill-behaved …