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portrait professional crack 11 The objective of this PhD project is to develop an electronic structure model capable of simulating the Einstein-de Haas (EdH) experiment. In the EdH experiment a cylinder of iron is suspended by a string, which allows it to freely rotate. Changes in external magnetic field cause the cylinder to gain a classical angular momentum as a response to the change of the orientations of the electron spins in order to conserve angular momentum . To describe the transfer of angular momentum from electron spin to the lattice we need to evolve the electron wavefunctions in time, with spin-orbit interactions included, and in the presence of a time-dependent external magnetic field.
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amaze gps blackberry crack In the MSc project preceding the PhD it was shown that including the spin-orbit coupling term with the Pauli equation was sufficient to capture all of the physics needed from the fully-relativistic Dirac equation, although the accuracy of the approximation was shown to decrease with increasing atomic number. Building on the MSc project, the aim is to create a tight-binding model with spin-orbit coupling, and with forces on the nuclei calculated using the Hellman-Feynman theorem. This will be made time dependent to allow simulation of a gradual variation in the magnetic field, and thus reproduce the EdH effect.
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