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cond-mat.mtrl-sci2003★ 17 cited
High-pressure Debye-Waller and Grueneisen parameters of Au and Cu
Matthias J. Graf, Carl W. Greeff, Jonathan C. Boettger
The lattice vibrations are determined in the quasi-harmonic approximation for elemental Au and Cu to twice their normal density by first-principles electronic band-structure calcul…
cond-mat.mtrl-sci1998
Theoretical Atomic Volumes of fcc Thorium and Plutonium
J. C. Boettger, M. D. Jones, R. C. Albers +1
The zero-presssure zero-temperature equilibrium volume and bulk modulus are calculated for fcc Th and Pu by two independent all-electron, full-potential, electronic-structure metho…