Phys. Rev. B 64, 035320 (2001) [5 pages]Excitons in small hydrogenated Si clustersReceived 12 October 2000; revised 7 March 2001; published 25 June 2001 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. © 2001 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.64.035320
DOI:
10.1103/PhysRevB.64.035320
PACS:
71.15.-m, 73.22.-f, 71.35.Cc, 78.20.Bh
|
|
About | Terms and Conditions | Subscriptions | Search | Help
Use of the American Physical Society websites and journals implies that the user has read and agrees to our Terms and Conditions and any applicable Subscription Agreement. Physical Review®, Physical Review Letters®, Reviews of Modern Physics®, and Physical Review Special Topics® are trademarks of the American Physical Society.