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JK Tomfohr et al.
PHYSICAL REVIEW B (2002)
High-pressure elastic properties of major materials of Earth's mantle from first principles
BB Karki et al.
REVIEWS OF GEOPHYSICS (2001)
A long-range correction scheme for generalized-gradient-approximation exchange functionals
H Iikura et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
First-principles prediction of structure, energetics, formation enthalpy, elastic constants, polarization, and piezoelectric constants of AlN, GaN, and InN: Comparison of local and gradient-corrected density-functional theory
A Zoroddu et al.
PHYSICAL REVIEW B (2001)
Phonon density of states in MgB2 -: art. no. 017005
R Osborn et al.
PHYSICAL REVIEW LETTERS (2001)
Inelastic neutron scattering: A tool in molecular vibrational spectroscopy and a test of ab initio methods
BS Hudson
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Photoelasticity of α-quartz from first principles -: art. no. 115118
F Detraux et al.
PHYSICAL REVIEW B (2001)
Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree-Fock theory
B Kirtman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
New advances in chemistry and materials science with CPMD and parallel computing
W Andreoni et al.
PARALLEL COMPUTING (2000)
High-pressure lattice dynamics and thermoelasticity of MgO
BB Karki et al.
PHYSICAL REVIEW B (2000)
Berry-phase theory of proper piezoelectric response
D Vanderbilt
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2000)
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