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Xinguo Ren
Researcher at Chinese Academy of Sciences
Publications - 106
Citations - 7585
Xinguo Ren is an academic researcher from Chinese Academy of Sciences. The author has contributed to research in topics: Density functional theory & Hybrid functional. The author has an hindex of 32, co-authored 88 publications receiving 6211 citations. Previous affiliations of Xinguo Ren include Max Planck Society & Fritz Haber Institute of the Max Planck Society.
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Journal ArticleDOI
Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals
Volker Blum,Ralf Gehrke,Felix Hanke,Paula Havu,Ville Havu,Xinguo Ren,Karsten Reuter,Matthias Scheffler +7 more
TL;DR: The construction of transferable, hierarchical basis sets are demonstrated, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set, since all basis functions are strictly localized.
Journal ArticleDOI
Resolution-of-identity approach to Hartree?Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions
Xinguo Ren,Patrick Rinke,Volker Blum,Jürgen Wieferink,Alexandre Tkatchenko,Andrea Sanfilippo,Karsten Reuter,Matthias Scheffler +7 more
TL;DR: In this article, the authors present a common framework for methods beyond semilocal density-functional theory (DFT), including Hartree-Fock (HF), hybrid density functionals, random-phase approximation (RPA), second-order Moller-Plesset perturbation theory (MP2), and the GW method.
Journal ArticleDOI
Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions
Xinguo Ren,Patrick Rinke,Volker Blum,Jürgen Wieferink,Alexandre Tkatchenko,Andrea Sanfilippo,Karsten Reuter,Matthias Scheffler +7 more
TL;DR: In this paper, the authors employ the resolution of identity (RI) technique to facilitate the treatment of both the two-electron Coulomb repulsion integrals (required in all these approaches) as well as the linear density-response function (required for RPA and $GW$), which can in turn be expanded in a set of auxiliary basis functions (ABFs).
Journal ArticleDOI
Random-phase approximation and its applications in computational chemistry and materials science
TL;DR: The random-phase approximation as an approach for computing the electronic correlation energy and its applications to realistic systems are reviewed and the implications of RPA for computational chemistry and materials science are discussed.
Journal ArticleDOI
GW100: Benchmarking G0W0 for Molecular Systems
Michiel van Setten,Michiel van Setten,Fabio Caruso,Fabio Caruso,Sahar Sharifzadeh,Sahar Sharifzadeh,Xinguo Ren,Xinguo Ren,Matthias Scheffler,Fang Liu,Johannes Lischner,Johannes Lischner,Lin Lin,Jack Deslippe,Steven G. Louie,Steven G. Louie,Chao Yang,Florian Weigend,Jeffrey B. Neaton,Ferdinand Evers,Patrick Rinke,Patrick Rinke +21 more
TL;DR: The GW100 is a benchmark set of the ionization potentials and electron affinities of 100 molecules computed with the GW method using three independent GW codes and different GW methodologies.