Publications of Xinguo Ren

Atalla, V.; Zhang, I. Y.; Hofmann, O. T.; Ren, X.; Rinke, P.; Scheffler, M.: Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation. Physical Review B 94 (3), 035140 (2016)

Chibani, W.; Ren, X.; Scheffler, M.; Rinke, P.: Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept. Physical Review B 93 (16), 165106 (2016)

Casadei, M.; Ren, X.; Rinke, P.; Rubio, A.; Scheffler, M.: Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization. Physical Review B 93 (7), 075153 (2016)

van Setten, M. J.; Caruso, F.; Sharifzadeh, S.; Ren, X.; Scheffler, M.; Liu, F.; Lischner, J.; Lin, L.; Deslippe, J. R.; Louie, S. G. et al.; Yang, C.; Weigend, F.; Neaton, J. B.; Evers, F.; Rinke, P.: GW100: Benchmarking G₀W₀ for Molecular Systems. Journal of Chemical Theory and Computation 11 (12), pp. 5665 - 5687 (2015)

Ihrig, A.; Wieferink, J.; Zhang, I. Y.; Ropo, M.; Ren, X.; Rinke, P.; Scheffler, M.; Blum, V.: Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory. New Journal of Physics 17 (9), 093020 (2015)

Ren, X.; Marom, N.; Caruso, F.; Scheffler, M.; Rinke, P.: Beyond the GW approximation: A second-order screened exchange correction. Physical Review B 92 (8), 081104(R) (2015)

Zhang, I. Y.; Ren, X.; Rinke, P.; Blum, V.; Scheffler, M.: Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar. New Journal of Physics 15 (12), 123033 (2013)

Caruso, F.; Rinke, P.; Ren, X.; Rubio, A.; Scheffler, M.: Self-consistent GW: an all-electron implementation with localized basis functions. Physical Review B 88 (7), 075105 (2013)

Ren, X.; Rinke, P.; Scuseria, G. E.; Scheffler, M.: Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks. Physical Review B 88 (3), 035120 (2013)

Liu, W.; Ruiz, V. G.; Zhang, G.-X.; Santra, B.; Ren, X.; Scheffler, M.; Tkatchenko, A.: Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response. New Journal of Physics 15 (5), 053046 (2013)

Caruso, F.; Rohr, D.; Hellgren, M.; Ren, X.; Rinke, P.; Rubio, A.; Scheffler, M.: Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory. Physical Review Letters 110 (14), 146403 (2013)

Marom, N.; Caruso, F.; Ren, X.; Hofmann, O. T.; Körzdörfer, T.; Chelikowsky, J. R.; Rubio, A.; Scheffler, M.; Rinke, P.: Benchmark of GW methods for azabenzenes. Physical Review B 86 (24), 245127 (2012)

Casadei, M.; Ren, X.; Rinke, P.; Rubio, A.; Scheffler, M.: Density-Functional Theory for f-Electron Systems: The α-γ Phase Transition in Cerium. Physical Review Letters 109 (14), 146402 (2012)

Caruso, F.; Rinke, P.; Ren, X.; Scheffler, M.; Rubio, A.: Unified description of ground and excited states of finite systems: The self-consistent GW approach. Physical Review B 86 (8), 081102(R) (2012)

Ren, X.; Rinke, P.; Blum, V.; Wieferink, J.; Tkatchenko, A.; Sanfilippo, A. G.; Reuter, K.; Scheffler, M.: Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions. New Journal of Physics 14 (5), 053020 (2012)

Paier, J.; Ren, X.; Rinke, P.; Scuseria, G. E.; Grüneis, A.; Kresse, G.; Scheffler, M.: Assessment of correlation energies based on the random-phase approximation. New Journal of Physics 14 (4), 043002 (2012)

Liu, W.; Savara, A. A.; Ren, X.; Ludwig, W.; Dostert, K.-H.; Schauermann, S.; Tkatchenko, A.; Freund, H.-J.; Scheffler, M.: Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111). The Journal of Physical Chemistry Letters 3 (5), pp. 582 - 586 (2012)

Ren, X.; Rinke, P.; Joas, C.; Scheffler, M.: Random-phase approximation and its applications in computational chemistry and materials science. Journal of Materials Science 47 (21), pp. 7447 - 7471 (2012)

Marom, N.; Moussa, J. E.; Ren, X.; Tkatchenko, A.; Chelikowsky, J. R.: Electronic structure of dye-sensitized TiO2 clusters from many-body perturbation theory. Physical Review B 84 (24), 245115 (2011)

Marom, N.; Ren, X.; Moussa, J. E.; Chelikowsky, J. R.; Kronik, L.: Electronic structure of copper phthalocyanine from G₀W₀ calculations. Physical Review B 84 (19), 195143 (2011)