@article{cac4f3b7a03a4cc3a024b78ec7dbfa07,
title = "Measurement of the phonon density of states of PuO 2(+2% Ga): A critical test of theory",
abstract = "Using inelastic x-ray scattering, we determine the phonon density of states of PuO 2 (+2% Ga) and compare results with recent predictions made using density functional theory (DFT), DFT plus the Hubbard U (DFT+U), and dynamical mean-field theory. The DFT prediction underestimates the measured energies of most features. The DFT+U prediction accurately reflects the low-energy features but incorrectly splits off an isolated high-energy oxygen mode. Ramifications for predictions of thermodynamic and transport properties of this nuclear fuel material are discussed.",
author = "Manley, {M. E.} and Jeffries, {J. R.} and Said, {A. H.} and Marianetti, {C. A.} and H. Cynn and Leu, {B. M.} and Wall, {M. A.}",
year = "2012",
month = apr,
day = "13",
doi = "10.1103/PhysRevB.85.132301",
language = "English",
volume = "85",
journal = "Physical Review B - Condensed Matter and Materials Physics",
issn = "1098-0121",
publisher = "American Physical Society",
number = "13",
}