X. Ren

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 2020Show all

3 papers · 1 filter

cond-mat.mtrl-sci2020★ 57 cited

All-electron periodic $G_{0} W_{0}$ 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…

physics.comp-ph2020★ 1 cited

Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals

Peize Lin, Xinguo Ren, Lixin He

We present an efficient, linear-scaling implementation for building the (screened) Hartree-Fock exchange (HFX) matrix for periodic systems within the framework of numerical atomic…

cond-mat.mtrl-sci2020★ 5 cited

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…

All-electron periodic G0​W0​ implementation with numerical atomic orbital basis functions: algorithm and benchmarks

Efficient Hybrid Density Functional Calculations for Large Periodic Systems Using Numerical Atomic Orbitals

Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics

All-electron periodic $G_{0} W_{0}$ implementation with numerical atomic orbital basis functions: algorithm and benchmarks