Publikationen von Xinguo Ren

Atalla, V., I.Y. Zhang, O.T. Hofmann, X. Ren, P. Rinke und M. Scheffler: 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).

Casadei, M., X. Ren, P. Rinke, A. Rubio und M. Scheffler: 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).

Chibani, W., X. Ren, M. Scheffler und P. Rinke: 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).

Ihrig, A., J. Wieferink, I.Y. Zhang, M. Ropo, X. Ren, P. Rinke, M. Scheffler und V. Blum: 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., N. Marom, F. Caruso, M. Scheffler und P. Rinke: Beyond the GW approximation: A second-order screened exchange correction. Physical Review B 92 (8), 081104(R) (2015).

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

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

Caruso, F., D. Rohr, M. Hellgren, X. Ren, P. Rinke, A. Rubio und M. Scheffler: 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).

Liu, W., V.G. Ruiz, G.-X. Zhang, B. Santra, X. Ren, M. Scheffler und A. Tkatchenko: 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).

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

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

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

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

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

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

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

Ren, X., P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A.G. Sanfilippo, K. Reuter und M. Scheffler: 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).

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

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

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