1.6k citations · 5k across the 41 of their papers we have counts for
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mtrl-th1996★ 615 cited
Applications of a tight-binding total energy method for transition and noble metals: Elastic Constants, Vacancies, and Surfaces of Monatomic Metals
Michael J. Mehl, Dimitrios A. Papaconstantopoulos
A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving atoms in a unit cell. The method uses…
mtrl-th1996★ 20 cited
Development of a Kohn-Sham like potential in the Self-Consistent Atomic Deformation Model
M. J. Mehl, L. L. Boyer, H. T. Stokes
This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid…