Phys. Rev. A 28, 3637–3639 (1983)Ground-state properties of Ag2: A local-density pseudopotential approachReceived 8 August 1983; published in the issue dated December 1983 The local-density approximation of the density-functional theory is applied to calculate the ground-state properties of Ag2, within the framework of the pseudopotential method. The calculated values of the bond length and the harmonic vibrational frequency are in good agreement with experiment. The bonding properties are found to be influenced by the d-electron states in a significant way. The results are compared with those of configuration-interaction calculations. © 1983 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevA.28.3637
DOI:
10.1103/PhysRevA.28.3637
PACS:
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