Phys. Rev. B 28, 5480–5486 (1983)First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and MoReceived 20 June 1983; published in the issue dated 15 November 1983 We have used a self-consistent pseudopotential method to calculate the equilibrium ground-state properties of the transition metals Mo and Nb. From our calculations we obtain equilibrium lattice constants, cohesive energies, and bulk moduli which are in excellent agreement with experiment. © 1983 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.28.5480
DOI:
10.1103/PhysRevB.28.5480
PACS:
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