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J. M. Foster and S. F. Boys, Rev. Mod. Phys. 32, 300 (1960); C. Edmiston and K. Ruedenberg, ibid. 35, 457 (1963); T. L. Gilbert, in: Molecular Orbitals in Chemistry, Physics and Biology, edited by P. O. Löwdin and B. Pullman (Academic, New York, 1964), pp. 405-420; W. H. Adams, J. Chem. Phys. 34, 89 (1961); 37, 2009 (1962); 42, 4030 (1965); J. Pipek and P.G. Mezey, ibid. 90, 4916 (1989).
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for a scheme aimed at obtaining maximally localized Wannier functions from Bloch orbitals using an approach similar to the Foster-Boys scheme (Ref. 7) cited above
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In molecular calculations lobe-type functions were suggested independently by H. Preuss, Z. Naturforsch. A 11, 823 (1956); J. L. Whitten J. Chem. Phys. 39, 349 (1963). They were used for the first time in solid-state calculations within the context of Bloch-orbital-based Hartree-Fock calculations by Euwema and coworkers. See, for example, R. N. Euwema, D. L. Wilhite, and G. T. Surrat, Phys. Rev. B 7, 818 (1973).
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