Identifiers
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name variant
Xinguo Ren
0.60 · backfill
Papers (64)
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Termination-Dependent Surface States and Magnetic Fingerprints of Chiral Helimagnet Cr1/3TaS2
cond-mat.mtrl-sci · 2026 · author #36
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$G^0W^0$ implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks
cond-mat.mtrl-sci · 2026 · author #7
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Low-scaling \textit{GW} calculations of quasi-particle energies for extended systems within the numerical atomic orbital framework
cond-mat.mtrl-sci · 2026 · author #4
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All-electron Quasiparticle Self-consistent GW for Molecules and Periodic Systems within the Numerical Atomic Orbital Framework
cond-mat.mtrl-sci · 2026 · author #5
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Self-Consistent Random Phase Approximation from Projective Truncation Approximation Formalism
cond-mat.str-el · 2025 · author #2
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Analytical gradients of random-phase approximation plus corrections from renormalized single excitations
physics.chem-ph · 2025 · author #3
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Roadmap on Advancements of the FHI-aims Software Package
cond-mat.mtrl-sci · 2025 · author #146
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Gas-solid Reaction Dynamics on Li$_6$PS$_5$Cl Surfaces: A Case Study of the Influence of CO$_2$ and CO$_2$/O$_2$ Atmospheres Using AIMD and MLFF Simulations
physics.chem-ph · 2025 · author #2
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Applying Space-Group Symmetry to Speed up Hybrid-Functional Calculations within the Framework of Numerical Atomic Orbitals
physics.comp-ph · 2025 · author #5
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Direct minimization on the complex Stiefel manifold in Kohn-Sham density functional theory for finite and extended systems
physics.comp-ph · 2024 · author #3
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Neural Canonical Transformations for Quantum Anharmonic Solids of Lithium
cond-mat.mtrl-sci · 2024 · author #4
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Efficient hybrid-functional-based force and stress calculations for periodic systems with thousands of atoms
physics.comp-ph · 2024 · author #4
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Temperature-dependent Electronic Spectral Functions from Band-Structure Unfolding
cond-mat.mtrl-sci · 2024 · author #5
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LibRPA: A Software Package for Low-scaling First-principles Calculations of Random Phase Approximation Electron Correlation Energy Based on Numerical Atomic Orbitals
cond-mat.mtrl-sci · 2024 · author #5
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All-electron BSE@GW method with Numeric Atom-Centered Orbitals for Extended Systems
physics.chem-ph · 2024 · author #4
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Efficient structural relaxation based on the random phase approximation: Applications to the water clusters
cond-mat.mtrl-sci · 2024 · author #4
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Mechanistic Insights into Temperature Effects for Ionic Conductivity in Li6PS5Cl
cond-mat.mtrl-sci · 2024 · author #3
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Developing correlation-consistent numeric atom-centered orbital basis sets for Krypton: Applications in RPA-based correlated calculations
cond-mat.mtrl-sci · 2023 · author #3
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Sub-quadratic scaling real-space random-phase approximation correlation energy calculations for periodic systems with numerical atomic orbitals
physics.comp-ph · 2023 · author #5
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Basis-set-error-free RPA correlation energies for atoms based on the Sternheimer equation
physics.chem-ph · 2023 · author #5
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Microscopic resolution of superconducting electrons in ultrahigh-pressed hydrogen sulfide
cond-mat.supr-con · 2023 · author #5
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Implementation of the SCAN Exchange-Correlation Functional with Numerical Atomic Orbitals
cond-mat.mtrl-sci · 2023 · author #4
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Predicting structure-dependent Hubbard U parameters for assessing hybrid functional-level exchange via machine learning
physics.comp-ph · 2023 · author #8
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Efficient hybrid density functional calculation by deep learning
cond-mat.mtrl-sci · 2023 · author #8
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Introduction to the Fifth-rung Density Functional Approximations: Concept, Formulation, and Applications
cond-mat.mtrl-sci · 2023 · author #2
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First-principle calculations of plasmon excitations in graphene,silicene and germanene
physics.comp-ph · 2022 · author #4
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Tunable Interband Transitions in Twisted h-BN/Graphene Heterostructures
cond-mat.mes-hall · 2022 · author #12
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Reproducibility of Hybrid Density Functional Calculations for Equation-of-State Properties and Band Gaps
cond-mat.mtrl-sci · 2022 · author #3
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Vertex effects in describing the ionization energies of the first-row transition-metal monoxide molecules
cond-mat.mtrl-sci · 2022 · author #2
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Importance of exact exchange to the geometric and electronic structures of Cs$_2$$B$$B'$$X_6$ double perovskites
cond-mat.mtrl-sci · 2022 · author #3
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Highly in-plane anisotropic optical properties of fullerene monolayers
cond-mat.mtrl-sci · 2022 · author #10
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Ultrafast shift current dynamics in WS$_{2}$ monolayer
cond-mat.mtrl-sci · 2022 · author #2
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Density functional theory plus dynamical mean field theory within the framework of linear combination of numerical atomic orbitals: Formulation and benchmarks
cond-mat.str-el · 2022 · author #6
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DFT+$U$ within the framework of linear combination of numerical atomic orbitals
cond-mat.mtrl-sci · 2022 · author #5
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Phase Stability of the Argon Crystal: A First-Principles Study Based on Random Phase Approximation plus Renormalized Single Excitation Corrections
cond-mat.mtrl-sci · 2021 · author #2
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Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks
physics.chem-ph · 2021 · author #6
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Assessing the $G_0W_0\Gamma^{(1)}_0$ approach: Beyond $G_0W_0$ with Hedin's full second-order self-energy contribution
cond-mat.mtrl-sci · 2021 · author #3
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Evidence for temporary and local transition of sp2 graphite-type to sp3 diamond-type bonding induced by the tip of an atomic force microscope
cond-mat.mtrl-sci · 2021 · author #2
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All-electron periodic $G_0W_0$ implementation with numerical atomic orbital basis functions: algorithm and benchmarks
cond-mat.mtrl-sci · 2020 · author #1
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Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals
physics.comp-ph · 2020 · author #2
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Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics
cond-mat.mtrl-sci · 2020 · author #4
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Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals
cond-mat.mtrl-sci · 2019 · author #3
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Comparing particle-particle and particle-hole channels of random-phase approximation
cond-mat.mtrl-sci · 2019 · author #2
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V$_5$S$_8$: a Kondo lattice based on intercalation of van der Waals layered transition metal dichalcogenide
cond-mat.mtrl-sci · 2018 · author #9
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Test set for materials science and engineering with user-friendly graphic tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations
cond-mat.mtrl-sci · 2018 · author #3
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First-principles calculation of optical responses based on nonorthogonal localized orbitals
cond-mat.mtrl-sci · 2018 · author #4
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First-principles calculations and model analysis of plasmon excitations in graphene
cond-mat.mtrl-sci · 2017 · author #2
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First-principles molecular dynamics study of deuterium diffusion in liquid tin
cond-mat.soft · 2017 · author #3
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Strong charge and spin fluctuations in La$_2$O$_3$Fe$_2$Se$_2$
cond-mat.mtrl-sci · 2015 · author #4
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The origin of hyperferroelectricity in Li$B$O$_3$ ($B$=V, Nb, Ta, Os)
cond-mat.mtrl-sci · 2015 · author #2
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Self-Consistent Green Function Embedding for Advanced Electronic Structure Methods Based on a Dynamical Mean-Field Concept
cond-mat.mtrl-sci · 2015 · author #2
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Large-scale ab initio simulations based on systematically improvable atomic basis
cond-mat.mtrl-sci · 2015 · author #5
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Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation
cond-mat.str-el · 2014 · author #4
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First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory
cond-mat.mtrl-sci · 2014 · author #3
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Self-consistent GW: All-electron implementation with localized basis functions
cond-mat.mtrl-sci · 2013 · author #3
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Renormalized Second-order Perturbation Theory for The Electron Correlation Energy: Concept, Implementation, and Benchmarks
cond-mat.other · 2012 · author #1
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A Benchmark of GW Methods for Azabenzenes: Is the GW Approximation Good Enough?
cond-mat.mtrl-sci · 2012 · author #3
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Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory
physics.chem-ph · 2012 · author #4
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Density-functional Theory for f electron Systems: the {\alpha}-{\gamma} Phase Transition in Cerium
cond-mat.str-el · 2012 · author #2
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Random-phase approximation and its applications in computational chemistry and materials science
cond-mat.mtrl-sci · 2012 · author #1
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Unified description of ground and excited states of finite systems: the self-consistent GW approach
cond-mat.mtrl-sci · 2012 · author #3
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Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions
physics.atm-clus · 2012 · author #1
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Assessment of correlation energies based on the random-phase approximation
cond-mat.mtrl-sci · 2011 · author #2
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Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
cond-mat.other · 2010 · author #1
Mentions
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