Book: Igor Ying Zhang, and Xin Xu*, A new generation density functional towards chemical accuracy for chemistry of main group elements, Springer, 2014.
I. Y. Zhang*, P. Rinke, J. P. Perdew, and M. Scheffler, Towards efficient orbital-dependent density functionals for weak and strong correlation, Phys. Rew. Lett., 117, 133002 (2016).
I. Y. Zhang*, P. Rinke, and M. Scheffler, Wave-function inspired density functional applied to the H2/H2+ challenge, New J. Phys. 18, 073026 (2016).
A. Ihrig*, J. Wieferink, I. Y. Zhang*, M. Ropo, X. Ren, P. Rinke, M. Scheffler, and V. Blum*, Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory, New J. Phys., 17, 093020 (2015).
I. Y. Zhang*, X. Ren, P. Rinke, V. Blum, and M. Scheffler, Numeric Atom-Centered-Orbital Basis Sets with Valence-Correlation Consistency from H to Ar. New J. Phys. 15, 123033 (2013).
I. Y. Zhang, and X. Xu*, Long range corrected doubly hybrid density functional approximation to approach uniform accuracy for complex molecular systems, J. Phys. Chem. Lett. 4, 1669 (2013).
I. Y. Zhang, and X. Xu*, Gas-Phase Thermodynamics as a Validation of Computational Catalysis on Surfaces: A Case Study of Fischer–Tropsch Synthesis, ChemPhysChem 13, 1486. (2012, VIP).
I. Y. Zhang, X. Xu*, Y. Jung*, and W. A. Goddard III*, A fast doubly hybrid density functional method close to chemical accuracy: XYGJ-OS, Proc. Nat. Acad. Sci, USA, 108, 19896 (2011).
I. Y. Zhang, and Xin Xu*, Doubly hybrid density functional for accurate description of nonbond interactions, thermochemistry, and thermochemical kinetics, Int. Rev. Phys. Chem., 30(1)(2011)115-160 (2011, invited contribution).
I. Y. Zhang, J. Wu, and X. Xu*, Extending the reliability and applicability of B3LYP, Chem. Comm. 46, 3057 (2010, Feature article).
Y. Zhang, X. Xu*, and W. A. Goddard III*, Doubly Hybrid Density Functional for Accurate Descriptions of Nonbond Interactions, Thermochemistry, and Thermochemical Kinetics, Proc. Nat. Acad. Sci, USA, 106, 4963 (2009).
Y. Zhang, A. Wu, X. Xu, and Y. Yan, OPBE: A promising density functional for the calculation of nuclear shielding constants, Chem. Phys. Letters, 421, 383 (2006).