KEYWORDS: Quantum computing, Monte Carlo methods, Silicon, Computing systems, Quantum communications, Phosphorus, Molecules, Physics, Quantum cryptography, Control systems
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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