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66

J. Paier, R. Hirschl, M. Marsman, and G. Kresse, ``The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set'', J. Chem. Phys. 122, 234102 (2005).

67

J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003).

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71

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72

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73

J. Paier, M. Marsman, K. Hummer, G. Kresse, I.C. Gerber, and J.G. Ángyán, ``Screened hybrid density functionals applied to solids'', J. Chem. Phys. 124, 154709 (2006).

74

J. Paier, M. Marsman, and G. Kresse, ``Why does the B3LYP HF/DFT hybrid functional fail for metals?'', J. Chem. Phys. 127, 024103 (2007).

75

Juarez L. F. Da Silva, M. Veronika Ganduglia-Pirovano, Joachim Sauer, Veronika Bayer, and Georg Kresse, ``Hybrid functionals applied to rare-earth oxides: The example of ceria'', Phys. Rev. B 75, 045121 (2007).

76

K. Hummer, A. Grüneis, and G. Kresse, ``Structural and electronic properties of lead chalcogenides from first-principles'', Phys. Rev. B 75, 195211 (2007).

77

A. Stroppa, K. Termentzidis, J. Paier, G. Kresse, J. Hafner, ``CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set'', Phys. Rev. B 76, 195440-1-12 (2007).

78

A. Stroppa and G. Kresse, ``The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies'', New Journal of Physics 10, 063020 (2008); selected as part of the NJP Best of 2008.

79

F. Oba, A. Togo, I. Tanaka, J. Paier, and G. Kresse, ``Defect energetics in ZnO: A hybrid Hartree-Fock density functional study'', Phys. Rev. B 77, 245202-1-6 (2008).

80

J. Paier, M. Marsman, G. Kresse, ``Dielectric properties and excitons for extended systems from hybrid functionals'', Phys. Rev. B 78, 121201(R)-1-4 (2008).

81

R. Wahl, D. Vogtenhuber, and G. Kresse, ``SrTiO$_3$ and BaTiO$_3$ revisited using the projector augmented wave method: The performance of hybrid and semilocal functionals'', Phys. Rev. B 78, 104116-1-11 (2008).

82

M. Gajdos, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt,
``Linear optical properties in the PAW methodology'',
Phys. Rev. B 73, 045112 (2006).

83

S. Baroni and R. Resta, Phys. Rev. B 33, 7017, (1986).

84

X. Wu, D. Vanderbilt, D.R. Hamann, Phys. Rev. B 72, 035105 (2005).

85

M. Shishkin and G. Kresse, ``Implementation and performance of frequency-dependent $GW$ method within PAW framework'', Phys. Rev. B 74, 035101 (2006).

86

M. Shishkin and G. Kresse, ``Self-consistent $GW$ calculations for semiconductors and insulators'', Phys. Rev. B 75, 235102 (2007).

87

F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, ``Quasiparticle band structure based on a generalized Kohn-Sham scheme'', Phys. Rev. B 76, 115109-1-8 (2007).

88

M. Shishkin, M. Marsman, and G. Kresse, ``Accurate quasiparticle spectra from self-consistent GW with vertex corrections'', Phys. Rev. Lett. 99, 246403 (2007).

89

J. Harl and G. Kresse, ``Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theorem'', Physical Review B 77, 045136 (2008).

90

A. Kiejna, G. Kresse, J. Rogal, A.De Sarkar, K. Reuter, and M. Scheffler,
``Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces'',
Phys. Rev. B 73, 035404 (2006).