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92
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93
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100
J. Paier, M. Marsman, and G. Kresse, ``Why does the B3LYP HF/DFT hybrid functional fail for metals?'', J. Chem. Phys. 127, 024103 (2007).

101
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).

102
K. Hummer, A. Grüneis, and G. Kresse, ``Structural and electronic properties of lead chalcogenides from first-principles'', Phys. Rev. B 75, 195211 (2007).

103
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).

104
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.

105
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).

106
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).

107
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).

108
M. Gajdoš, K. Hummer, G. Kresse, J. Furthmüller, and F. Bechstedt, ``Linear optical properties in the PAW methodology'', Phys. Rev. B 73, 045112 (2006).

109
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110
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111
M. Shishkin and G. Kresse, ``Implementation and performance of frequency-dependent $ GW$ method within PAW framework'', Phys. Rev. B 74, 035101 (2006).

112
M. Shishkin and G. Kresse, ``Self-consistent $ GW$ calculations for semiconductors and insulators'', Phys. Rev. B 75, 235102 (2007).

113
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).

114
M. Shishkin, M. Marsman, and G. Kresse, ``Accurate quasiparticle spectra from self-consistent GW with vertex corrections'', Phys. Rev. Lett. 99, 246403 (2007).

115
F. Bruneval, N. Vast, and L. Reining, Phys. Rev. B 74, 45102 (2006).

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117
M. Rohlfing, S.G. Louie, ``Electron-Hole Excitations in Semiconductors and Insulators'', Phys. Rev. Lett. 81, 2312 (1998).

118
T. Sander, E. Maggio, and G. Kresse, ``Beyond the Tamm-Dancoff approximation for extended systems using exact diagonalization'', Phys. Rev. B submitte

119
J. Harl and G. Kresse, ``Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theorem'', Phys. Rev. B 77, 045136 (2008).

120
J. Harl and G. Kresse, ``Accurate Bulk Properties from Approximate Many-Body Techniques'', Phys. Rev. Lett. 103, 056401 (2009).

121
J. Harl, L. Schimka, and G. Kresse, ``Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids'', Phys. Rev. B 81, 115126 (2010).

122
M. Kaltak, J. Klimeš, and G. Kresse, ``Low scaling algorithms for the random phase approximation: Imaginary time and Laplace transformations'', Journal of Chemical Theory and Computation 10, 2498-2507 (2014).

123
M. Kaltak, J. Klimeš, and G. Kresse, ``A cubic scaling algorithm for the random phase approximation: Selfinterstitials and vacancies in Si'', Phys. Rev. B 90, 054115 (2014).

124
J. Klimeš, M. Kaltak, and G. Kresse, ``Predictive GW calculations using plane waves and pseudopotentials'', Phys. Rev. B 90, 075125 (2014), editor's suggestion.

125
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).

126
X. Wu, M. C. Vargas, S. Nayak, V. Lotrich, and G. Scoles, ``Towards extending the applicability of density functional theory to weakly bound systems'', J. Chem. Phys. 115, 8748 (2001).

127
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128
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129
S. Grimme, S. Ehrlich, and L. Goerigk, ``Effect of the damping function in dispersion corrected density functional theory'', J. Comp. Chem. 32, 1456 (2011).

130
A. Tkatchenko, R. A. Di Stasio, R. Car, and M. Scheffler, ``Accurate and efficient method for many-body van der waals interactions'', Phys. Rev. Lett. 108, 236402 (2012).

131
A. Tkatchenko and M. Scheffler, ``Accurate molecular van der waals interactions from ground-state electron density and free-atom reference data'', Phys. Rev. Lett. 102, 073005 (2009).

132
T. Kerber and J. Sauer, ``Application of semiempirical long-range dispersion corrections to periodic systems in density functional theory'', J. Comp. Chem. 29, 2088 (2008).

133
T. Bucko, S. Lebègue, J. Hafner, and J. G. Ángyán, ``Improved Density Dependent Correction for the Description of London Dispersion Forces'', J. Chem. Theory. Comput. 9, 4293 (2013).

134
T. Bucko, S. Lebègue, J. G. Ángyán, and J. Hafner, ``Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning'', J. Chem. Phys. 141, 034114 (2014).

135
P. Bultinck, C. Van Alsenoy, P. W. Ayers, and R. Carbó Dorca, ``Critical analysis and extension of the hirshfeld atoms in molecules'', J. Chem. Phys. 126, 144111 (2007).

136
T. Bucko, S. Lebègue, T. Gould, and J. G. Ángyán, ``Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation'', J. Phys.: Condens. Matter 28, 045201 (2016).

137
A. Ambrosetti, A. M. Reilly, R. A. DiStasio, and A. Tkatchenko, ``Long-range correlation energy calculated from coupled atomic response functions'', J. Chem. Phys. 140, 018A508 (2014).

138
S. N. Steinmann, and C. Corminboeuf, ``Comprehensive benchmarking of a density-dependent dispersion correction'', J. Chem. Theory Comput. 7, 3567 (2011).

139
S. N. Steinmann, and C. Corminboeuf, ``A generalized-gradient approximation exchange hole model for dispersion coefficients'', J. Chem. Phys. 134, 044117 (2011).

140
A. D. Becke, and E. R. Johnson, ``Exchange-hole dipole moment and the dispersion interaction'', J. Chem. Phys. 122, 154104 (2005).

141
S. Gautier, S. N. Steinmann, C. Michel, P. Fleurat-Lessard, and P. Sautet, ``Molecular adsorption at pt(111). how accurate are dft functionals?'', Phys. Chem. Chem. Phys. 17, 28921 (2015).

142
E. Bremond, N. Golubev, S. N. Steinmann, and C. Corminboeuf, ``How important is self-consistency for the ddsc density dependent dispersion correction?'', J. Chem. Phys. 140, 18A516 (2014).

143
M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

144
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149
L. Köhler and G. Kresse, Phys. Rev. B 70, 165405 (2004).

150
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159
Y. Zhao and D. G. Truhlar, J. Chem. Phys. 125, 194101 (2006).

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A. D. Becke and E. R. Johnson, J. Chem. Phys. 124, 221101 (2006).

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N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at