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Continuous Time Quantum Monte Carlo method for fermions
Continuous Time Quantum Monte Carlo method for fermions

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... the HL scheme which uses the orbitals φL (r) and φR (r) of the separated (left and right) atoms,† expression (8) employs the sS-UHF orbitals which are self-consistently optimized for any separation d, potential barrier height Vb , and magnetic field B. As a result, expression (8) can be characterize ...
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... • Need the density of the alloy. • If this isn’t known, estimate from the densities of the pure components by assuming that the alloy is an ideal solution, i.e. when the components are mixed to form the alloy the total volume doesn’t change. • Consider the previous example, 10 weight % Pb and 90 wei ...
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... as the energy, E, of the electron state. Although it is common practice to refer to the energies of individual electrons, you should remember that since the potential energy arises from the interaction between each electron and the rest of the atom (including the other electrons), the energy is real ...
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... From a scientific point of view this miniaturisation is not troubling but, rather, increasingly interesting. Researchers can manufacture semiconductor systems, e.g., quantum dots or wires, which are small enough to exhibit pronounced quantum mechanical behaviour and/or mimic some of the physics seen ...
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... purpose here is to review the relevant theoretical background and establish notation. Based on this background we will review the state of the art, and define the intended research work included in this proposal. In this section we will mainly follow Shore (SHO 1990), unless otherwise noted. 2.1 The ...
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... principle, the general methodology was applicable to the calculation of molecular inela tic and reactive colli ion, which are important ingredients of reaction rates. tran port properties, and, as in the present case, line broadening. Calculation of these cro s sections, however, requires inclusion ...
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Tight binding

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method used in chemistry. Tight-binding models are applied to a wide variety of solids. The model gives good qualitative results in many cases and can be combined with other models that give better results where the tight-binding model fails. Though the tight-binding model is a one-electron model, the model also provides a basis for more advanced calculations like the calculation of surface states and application to various kinds of many-body problem and quasiparticle calculations.
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