J.P. Perdew and Y. Wang, Accurate and simple density functional for the electronic exchange energy: generalized gradient approximation.Physical Review B 33, 8800 (1986).
J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh and C. Fiolhais, Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation.Physical Review B 46, 6671 (1992).
B. Hammer, L.B. Hansen, and J.K.Nørskov, Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals.Physical Review B 59, 7413 (1999).
J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou and K. Burke, Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces.Physical Review Letters 100, 136406 (2008).
J. Tao, J.P. Perdew, V.N. Staroverov and G.E. Scuseria, Climbing the Density Functional Ladder: Nonempirical Meta-Generalized Gradient Approximation Designed for Molecules and Solids.Physical Review Letters 91, 146401 (2003).
P.H.T. Philipsen, E. van Lenthe, J.G. Snijders and E.J. Baerends, Relativistic calculations on the adsorption of CO on the (111) surfaces of Ni, Pd, and Pt within the zeroth-order regular approximation.Physical Review B 56, 13556 (1997).
P.H.T. Philipsen, and E.J. Baerends, Relativistic calculations to assess the ability of the generalized gradient approximation to reproduce trends in cohesive properties of solids.Physical Review B 61, 1773 (2000).
E.S. Kadantsev, R. Klooster. P.L. de Boeij and T. Ziegler, The Formulation and Implementation of Analytic Energy Gradients for Periodic Density Functional Calculations with STO/NAO Bloch Basis Set.Molecular Physics 105, 2583 (2007).
E.S. Kadantsev and T. Ziegler, Implementation of a Density Functional Theory-Based Method for the Calculation of the Hyperfine A-tensor in Periodic Systems with the Use of Numerical and Slater Type Atomic Orbitals: Application to Paramagnetic Defects.Journal of Physical Chemistry A 112, 4521 (2008).
J.A. Berger, P.L. de Boeij and R. van Leeuwen, Analysis of the viscoelastic coefficients in the Vignale-Kohn functional: The cases of one- and three-dimensional polyacetylene., Physical Review B 71, 155104 (2005).
M. Cococcioni, and S. de Gironcoli, Linear response approach to the calculation of the effective interaction parameters in the LDA+U method, Physical Review B 71, 035105 (2005).
D. Skachkov, M. Krykunov, and T. Ziegler, An improved scheme for the calculation of NMR chemical shifts in periodic systems based on gauge including atomic orbitals and density functional theory, Canadian Journal of Chemistry 89, 1150 (2011).
X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A. Sanfilippo, K. Reuter and M. Scheffler, Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions, New J. Phys. 14 053020.
J.A. Berger, P. Romaniello, R. van Leeuwen and P.L. de Boeij, Performance of the Vignale-Kohn functional in the linear response of metals, Phys. Rev. B 74, 245117.
J.A. Berger, Fully Parameter-Free Calculation of Optical Spectra for Insulators, Semiconductors, and Metals from a Simple Polarization Functional, Phys. Rev. Lett. 115, 137402.
Rui Li, Jiaxing Zhang, Shimin Hou, Zekan Qian, Ziyong Shen, Xingyu Zhao, Zengquan Xue, A corrected NEGF + DFT approach for calculating electronic transport through molecular devices: Filling bound states and patching the non-equilibrium integration, Chemical Physics 336 (2007) 127-135.
Zeng-hui Yang, Haowei Peng, Jianwei Sun, and John P. Perdew, More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme, Physical Review B 93, 205205 (2016).