Phys. Rev. Lett. 48, 1425–1428 (1982)Efficacious Form for Model PseudopotentialsReceived 26 February 1982; published in the issue dated 17 May 1982 A simple way has been discovered to put model pseudopotentials, V(r⃗)=Σlm|Ylm〉Vl(r)×〈Ylm|, into a form which reduces the number of integrals of V(r⃗) required for an energyband calculation from mn(n+1)/2 to mn for each l in the sum (where n is the number of plane waves used in the expansion and m the number of points in the Brillouin zone at which the calculation is performed). The new form may be chosen to improve the accuracy of the pseudopotential when used in other chemical environments. © 1982 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.48.1425
DOI:
10.1103/PhysRevLett.48.1425
PACS:
71.10.+x, 31.15.+q, 71.25.Cx
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