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 5 of 5 for “"Hartree-Fock Method"”.
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The real space finite element Hartree-Fock method and the thermo-mechanical properties of carbon nanotubes
… aims to explore the application of the popular method of the finite element method (FEM) in the electronic structure theory. The finite element method is a very general numerical technique in mathematics for solving partial differential equations (PDEs) and it has been widely applied in …
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Investigations of the quantum Hall effect in graphene
… electron gas (2DEG); we review and discuss the Hartree-Fock method which has been successfully used to investigate various aspects of the quantum Hall effect in the 2DEG. We then utilize the Hartree-Fock method to investigate the quantum Hall effect in graphene and, in particular, the occurrence …
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Transport properties of quantum dot molecules and electronic structure of graphene quantum dot qubits
… devices. We use many-body equation of motion method for Hubbard-Anderson model to study non-equilibrium charge and thermal transport properties of QDMs connected to metallic electrodes in the Coulomb blockade regime. An exterior algebra method is developed to construct the equation of motion …
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Computer Methods for Investigating Hydrogen-Bonded Equilibria in Alcohols
… O-H groups in alcohols and the use of physical methods, particularly infrared spectroscopy, and computing methods to gain better understanding of the structures arising from the formation of hydrogen bonds.<br/><br/>The infrared spectra of methanol as a dilute solution in CC14 has been measured. …
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Quantum Computation With Electron Spins of Phosphorous Donors in Silicon
… hamiltonian. We discuss several popular methods to solve the two-donor problem and develop an appropriate extended Hartree-Fock method that can give reliable results for a well-separated donor pair subject to tunable coupling. This method is first applied to a Si:P donor pair in the …