Xinguo Ren

activity

20042025

most citedFull orbital calculation scheme for materials with strongly correlated electrons

310 citations · 312 across the 4 of their papers we have counts for

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physics.comp-ph2024★ 2 cited

Direct minimization on the complex Stiefel manifold in Kohn-Sham density functional theory for finite and extended systems

Kai Luo, Tingguang Wang, Xinguo Ren

Direct minimization method on the complex Stiefel manifold in Kohn-Sham density functional theory is formulated to treat both finite and extended systems in a unified manner. This…

cond-mat.mtrl-sci2024

$Ab initio$ correlated calculations without finite basis-set error: Numerically precise all-electron RPA correlation energies for diatomic molecules

Hao Peng, Xinguo Ren

In wavefunction-based $ab-initio$ quantum mechanical calculations, achieving absolute convergence with respect to the one-electron basis set is a long-standing challenge.…

Direct minimization on the complex Stiefel manifold in Kohn-Sham density functional theory for finite and extended systems

Ab initio correlated calculations without finite basis-set error: Numerically precise all-electron RPA correlation energies for diatomic molecules

$Ab initio$ correlated calculations without finite basis-set error: Numerically precise all-electron RPA correlation energies for diatomic molecules