activity
20042023
most citedResolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions

745 citations · 3.1k across the 46 of their papers we have counts for

collaborators
Showing 2021Show all

4 papers · 1 filter

cond-mat.mtrl-sci2021★ 9 cited

Phase Stability of the Argon Crystal: A First-Principles Study Based on Random Phase Approximation plus Renormalized Single Excitation Corrections

Sixian Yang, Xinguo Ren

The energy differences between the face-centered cubic (FCC) and hexagonal closed packed (HCP) structures of the argon (Ar) crystal are studied using the first-principles electroni…

physics.chem-ph2021

Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks

Muhammad N. Tahir, Tong Zhu, Honghui Shang +3

We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the at…

cond-mat.mtrl-sci2021

Assessing the approach: Beyond with Hedin's full second-order self-energy contribution

Yanyong Wang, Patrick Rinke, Xinguo Ren

We present and benchmark a self-energy approach for quasiparticle energy calculations that goes beyond Hedin's approximation by adding the full second-order self-energy (FSOS-…

cond-mat.mtrl-sci2021★ 9 cited

Evidence for temporary and local transition of sp2 graphite-type to sp3 diamond-type bonding induced by the tip of an atomic force microscope

Thomas Hofmann, Xinguo Ren, Alfred J. Weymouth +4

Artificial diamond is created by exposing graphite to pressures on the order of 10\,GPa and temperatures of about 2000\,K. Here, we provide evidence that the pressure exerted by th…