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 (Comput. Phys. Commun., 2009)

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. - Sergey V. Levchenko; Xinguo Ren; Jürgen Wieferink; Rainer Johanni; Patrick Rinke; Volker Blum; Matthias Scheffler (Comput. Phys. Commun., 2015)

Accurate stress calculations based on numerical atomic orbital bases: Implementation and benchmarks. - Daye Zheng; Xinguo Ren; Lixin He (Comput. Phys. Commun., 2021)

Direct minimization on the complex Stiefel manifold in Kohn-Sham density functional theory for finite and extended systems. - Kai Luo; Tingguang Wang; Xinguo Ren (Comput. Phys. Commun., 2025)

LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals. - Rong Shi; Min-Ye Zhang; Peize Lin; Lixin He; Xinguo Ren (Comput. Phys. Commun., 2025)