Path integral Monte Carlo simulations of nanowires and quantum point contacts

Autor:	M J Gilbert, J Shumway
Rok vydání:	2006
Předmět:	Physics History Quantum Monte Carlo Quantum annealing Computer Science Applications Education Hybrid Monte Carlo Quantum mechanics Dynamic Monte Carlo method Quantum algorithm Diffusion Monte Carlo Statistical physics Path integral Monte Carlo Monte Carlo molecular modeling
Zdroj:	Journal of Physics: Conference Series. 35:190-196
ISSN:	1742-6596 1742-6588
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b958d7479b7a06ce779e6e0db632931f https://doi.org/10.1088/1742-6596/35/1/017 Zobrazit plný text záznamu