Phys. Rev. Lett. 68, 2956–2959 (1992)Simulation of Si clusters via Langevin molecular dynamics with quantum forcesReceived 24 February 1992; published in the issue dated 11 May 1992 We present a dynamical-stochastic scheme to determine from first principles the structure of low-symmetry atomic systems. The method is based on Langevin molecular-dynamics and quantum-mechanical interactions derived from self-consistent local-density-functional calculations. It can be used for insulating as well as metallic and charged systems. Here we examine small neutral and charged Si clusters, and show that the ground-state structures can be efficiently obtained with this approach. © 1992 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.68.2956
DOI:
10.1103/PhysRevLett.68.2956
PACS:
71.10.+x, 36.40.+d
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