A theoretical study of small silicon clusters using an effective core potential. Rohlfing, C. M. & Raghavachari, K. Chemical Physics Letters, 167(6):559–565, April, 1990.
Paper doi abstract bibtex The structures and energies of small silicon clusters are investigated using an effective core potential (ECP), a double-zeta polarized basis set, and fourth-order M�ller-Plesset perturbation theory. Excellent agreement is obtained with the results of recent all-electron calculations of Si2-Si10. The ECP is used to examine Si11, which has not been previously characterized. The lowest energy structure of Si11 is found to be a distorted pentacapped trigonal prism, which offers further growth possibilities.
@article{rohlfing_theoretical_1990,
title = {A theoretical study of small silicon clusters using an effective core potential},
volume = {167},
url = {http://www.sciencedirect.com/science/article/B6TFN-44XDTVD-8M/2/d3851a1c56b1c7d190a0924b0aa1676b},
doi = {10.1016/0009-2614(90)85469-S},
abstract = {The structures and energies of small silicon clusters are investigated using an effective core potential (ECP), a double-zeta polarized basis set, and fourth-order M�ller-Plesset perturbation theory. Excellent agreement is obtained with the results of recent all-electron calculations of Si2-Si10. The ECP is used to examine Si11, which has not been previously characterized. The lowest energy structure of Si11 is found to be a distorted pentacapped trigonal prism, which offers further growth possibilities.},
number = {6},
urldate = {2008-11-03},
journal = {Chemical Physics Letters},
author = {Rohlfing, Celeste McMichael and Raghavachari, Krishnan},
month = apr,
year = {1990},
pages = {559--565},
}
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