Publikationen von Igor Ying Zhang

Shen, T., Z. Zhu, I.Y. Zhang und M. Scheffler: Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems. Journal of Chemical Theory and Computation 15 (9), 4721–4734 (2019).

Zhang, I.Y., A.J. Logsdail, X. Ren, S.V. Levchenko, L.M. Ghiringhelli und M. Scheffler: Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New Journal of Physics 21 (1), 013025 (2019).

Zhang, I.Y., G. Zwaschka, Z. Wang, M. Wolf, R.K. Campen und Y. Tong: Resolving the Chemical Identity of H₂SO₄ Derived Anions on Pt(111) Electrodes: They’re Sulfate. Physical Chemistry Chemical Physics 21 (35), 19147–19152 (2019).

Tong, Y., I.Y. Zhang und R.K. Campen: Experimentally quantifying anion polarizability at the air/water interface. Nature Communications 9, 1313 (2018).

Perdew, J.P., W. Yang, K. Burke, Z. Yang, E.K.U. Gross, M. Scheffler, G.E. Scuseria, T.M. Henderson, I.Y. Zhang, A. Ruzsinszky, H. Peng, J. Sun, E. Trushin und A. Görling: Understanding band gaps of solids in generalized Kohn-Sham theory. Proceedings of the National Academy of Sciences of the USA 114 (11), 2801–2806 (2017).

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).

Zhang, I.Y., P. Rinke, J.P. Perdew und M. Scheffler: Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation. Physical Review Letters 117 (13), 133002 (2016).

Zhang, I.Y., P. Rinke und M. Scheffler: Wave-function inspired density functional applied to the H₂/H₂⁺ challenge. New Journal of Physics 18 (7), 073026 (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).

Ruzsinszky, A., I.Y. Zhang und M. Scheffler: Insight into organic reactions from the direct random phase approximation and its corrections. The Journal of Chemical Physics 143 (14), 144115 (2015).

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).

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