The NOMAD Laboratory

Novel Materials Discovery at the FHI Molecular Physics Department
of the Max-Planck-Gesellschaft

Advanced Electronic-Structure Methods

Xinguo Ren and Matthias Scheffler


1. Y. Gao, W. Zhu, and X. Ren, "Long-range behavior of a nonlocal correlation-energy density functional based on the random-phase approximation", Phys. Rev. B 12, 035113 (2020).
2. M. N. Tahir and X. Ren, "Comparing particle-particle and particle-hole channels of the random phase approximation", Phys. Rev. B, 99, 195149 (2019)
3. Q. Wang, D. Zheng, L. He, and X. Ren, "Cooperative Effect in a Graphite Intercalation Compound: Enhanced Mobility of AlCl4 in the Graphite Cathode of Aluminum-Ion Batteries", Phys. Rev. Applied 12, 044060 (2019).
4. P. Li, X. Ren, and L. He, "First-principles calculations and model analysis of plasmon excitations in graphene and graphene/hBN heterostructure", Phys. Rev. B 96, 165417 (2017).
5. X. Ren, N. Marom, F. Caruso, M. Scheffler and Patrick Rinke, "Beyond the GW approximation: A second-order screened exchange correction", Phys. Rev. B 92, 081104 (2015).
6. X. Ren, P. Rinke, G. E. Scuseria, and M. Scheffler, "Renormalized second-order perturbation theory for the electron correlation energy: Concept, implementation, and benchmarks", Phys. Rev. B 88, 035120 (2013).
7. X. Ren, P. Rinke, C. Joas, and M. Scheffler,  "Random-phase approximation and its applications in computational chemistry and materials science", J. Mater. Sci. 47, 7447 (2012).
8. X. Ren, P. Rinke, V. Blum, J. Wieferink, A. Tkatchenko, A. Sanfilippo, K. Reuter, and M. Scheffler, "Resolution-of-identity approach to HartreeFock,hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions", New J. Phys. 14 053020 (2012).
9. X. Ren, A. Tkatchenko, P. Rinke, and M. Scheffler, "Beyond the Random Phase Approximation: the Importance of Single excitations", Phys. Rev.Lett., 106, 153003 (2011).
10. X. Ren, I. Leonov, G. Keller, M. Kollar, I. Nekrasov, and D. Vollhardt, "LDA+DMFT computation of the electronic spectrum of NiO", Phys. Rev. B 74, 195114 (2006).