Excitons in small hydrogenated Si clusters

A. R. Porter, M. D. Towler, and R. J. Needs
Phys. Rev. B 64, 035320 – Published 25 June 2001
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Abstract

The excitonic states of four small hydrogenated Si clusters (SiH4,Si2H6,Si5H12, and Si10H16) are studied using the diffusion quantum Monte Carlo approach. The importance of using accurate guiding wave functions is stressed and we show that the quantum chemical singles-only configuration interaction method and the time-dependent density functional theory within the adiabatic local-density approximation can provide suitable zeroth-order approximations in these systems.

  • Received 12 October 2000

DOI:https://doi.org/10.1103/PhysRevB.64.035320

©2001 American Physical Society

Authors & Affiliations

A. R. Porter, M. D. Towler, and R. J. Needs

  • TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE, United Kingdom

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Issue

Vol. 64, Iss. 3 — 15 July 2001

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