111 citations · 112 across the 10 of their papers we have counts for
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cond-mat.mtrl-sci2011
Density functional calculation of the heats of formation of rare-earth orthophosphates
James R. Rustad
Electronic structure calculations are carried out to estimate the heats of formation of rare-earth orthophosphates from their oxides. The calculated heats of formation are systemat…
cond-mat.mtrl-sci2011★ 1 cited
Ab Initio calculation of the vibrational spectrum and thermodynamic properties of rhombohedral P4O10
James R. Rustad
Plane-wave pseudopotential methods and density functional perturbation theory are used to calculate the phonon density of states and thermodynamic functions of h-P4O10. The calcula…