Path integral Monte Carlo simulations of nanowires and quantum point contacts
John B. Shumway, Matthew J. Gilbert
We study quantum wires and point contacts with a fixed-node path integral Monte Carlo technique. The fixed-node technique uses a variational principle to map fermionic problems into effective bosonic problems, which are then evaluated with standard quantum Monte Carlo techniques. While fixed-node is an approximation, it has the useful properties of being variational and being able to recover the exact answer when the exact nodes or phases of the density matrix are known. In these finite-temperature simulations we use the free particle density matrix as a fixed-node constraint to efficiently simulate hundreds of interacting electrons. We have calculated charge densities, pair correlation functions, and the currentcurrent Matsubura Green's functions for quantum wires and quantum point contacts.
Journal of Physics Conference Series•Apr 1, 2006•4 citations