Erratum: Improved real-space genetic algorithm for crystal structure and polymorph prediction [Phys. Rev. B 77, 134117 (2008)]

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In our earlier work, there was an error in the derivation of the spherically averaged scattering intensity, presented as Eq. (5) in the original paper. This equation should have readΛ(kr)=∑n=1Nρ′(n)2+2∑n=1N∑m>nNρ′(n)ρ′(m)j0(kr∣∣∣∣rn−rm|), (5)where j0(r) is the spherical Bessel function of the first kind.
Original languageEnglish
Article number059904
Pages (from-to)1
Number of pages1
JournalPhysical Review B
Publication statusPublished - 22 Aug 2016

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  • genetic algorithm
  • structure prediction
  • fingerprint
  • density functional theory
  • DFT

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