201 citations · 541 across the 12 of their papers we have counts for
11 papers · 1 filter
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-…
All-electron periodic implementation with numerical atomic orbital basis functions: algorithm and benchmarks
Xinguo Ren, Florian Merz, Hong Jiang +5
We present an all-electron, periodic {\GnWn} implementation within the numerical atomic orbital (NAO) basis framework. A localized variant of the resolution-of-the-identity (RI) ap…
Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics
Daye Zheng, Zhen-Xiong Shen, Mohan Chen +2
Understanding the retention and recycling of hydrogen isotopes in liquid metal plasma-facing materials such as liquid Li, Sn, and Li-Sn are of fundamental importance in designing m…
Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals
Chi Liu, Jan Kloppenburg, Xinguo Ren +3
The Bethe-Salpeter equation (BSE) based on GW quasiparticle levels is a successful approach for calculating the optical gaps and spectra of solids and also for predicting the neutr…
Comparing particle-particle and particle-hole channels of random-phase approximation
Muhammad N. Tahir, Xinguo Ren
We present a comparative study of particle-hole and particle-particle channels of random-phase approximation (RPA) for molecular dissociations of different bonding types. We introd…
VS: a Kondo lattice based on intercalation of van der Waals layered transition metal dichalcogenide
Jingjing Niu, Zhilin Li, Sixian Yang +10
Since the discovery of graphene, a tremendous amount of two dimensional (2D) materials have surfaced. Their electronic properties can usually be well understood without considering…