23 February 2005 Calculation of the exchange coupling in Si:P donor systems
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Abstract
We examine exchange coupling in the Kate quantum computer, which consists of isolated spin-1/2 31P donors in a pure Si lattice. A calculation is made using full configuration interaction, a reasonably large basis set, and a simple physical model. Basis set convergence was not obtained, and increasing the size of the matrix further appears to be computationally impractical. We therefore consider a Gaussian basis set approach. A brief description of the McMurchie-Davidson algorithm for the expansion of SGTF functions into Hermite polynomials is given. We also give the results of a single-donor computation in this basis.
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Timothy R. Starling, Timothy R. Starling, Cameron J. Wellard, Cameron J. Wellard, Harry M. Quiney, Harry M. Quiney, Wayne Haig, Wayne Haig, Lloyd C. L. Hollenberg, Lloyd C. L. Hollenberg, } "Calculation of the exchange coupling in Si:P donor systems", Proc. SPIE 5650, Micro- and Nanotechnology: Materials, Processes, Packaging, and Systems II, (23 February 2005); doi: 10.1117/12.583192; https://doi.org/10.1117/12.583192
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