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Yanming Ma et al.
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J. Paier et al.
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Influence of the exchange screening parameter on the performance of screened hybrid functionals
Aliaksandr V. Krukau et al.
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Spin-orbit splittings and energy band gaps calculated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
Juan E. Peralta et al.
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Hybrid functionals based on a screened Coulomb potential (vol 118, pg 8207, 2003)
Jochen Heyd et al.
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J Paier et al.
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Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
J Heyd et al.
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Functional designed to include surface effects in self-consistent density functional theory
R Armiento et al.
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J Heyd et al.
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Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
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Effect of isotopic composition on the lattice parameter of germanium measured by x-ray backscattering
MY Hu et al.
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Overbending of the longitudinal optical phonon branch in diamond as evidenced by inelastic neutron and x-ray scattering
J Kulda et al.
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Old and new aspects in lattice-dynamical theory
P Pavone
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Phonons and related crystal properties from density-functional perturbation theory
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