Journal
PHYSICAL REVIEW B
Volume 81, Issue 11, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.115126
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Funding
- Austrian Fonds zur Forderung der wissenschaftlichen Forschung (FWF) [Y218, W4]
- Austrian Science Fund (FWF) [W4, Y218] Funding Source: Austrian Science Fund (FWF)
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We present lattice constants, bulk moduli, and atomization energies of solids using the correlation energy evaluated within the adiabatic connection fluctuation-dissipation framework and applying the random-phase approximation. Recently, we have shown [Phys. Rev. Lett. 103, 056401 (2009)] that geometrical properties and heats of formation are well described within this approximation. We extend this study to a larger set of materials and focus on the treatment of metals and the effect introduced by the frozen-core approximation.
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