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32 changes: 11 additions & 21 deletions source/_data/pub.bib
Original file line number Diff line number Diff line change
@@ -1,3 +1,14 @@
@Article{Li_ComputMaterSci_2016_v112_p503,
author = {Pengfei Li and Xiaohui Liu and Mohan Chen and Peize Lin and Xinguo Ren
and Lin Lin and Chao Yang and Lixin He},
title = {{Large-scale ab initio simulations based on systematically improvable
atomic basis}},
journal = {Comput. Mater. Sci.},
year = 2016,
volume = 112,
pages = {503--517},
doi = {10.1016/j.commatsci.2015.07.004},
}
@Article{Liu_PhysRevB_2022_v106_p125132,
author = {Qianrui Liu and Mohan Chen},
title = {{Plane-wave-based stochastic-deterministic density functional theory
Expand Down Expand Up @@ -118,27 +129,6 @@ @Article{Lin_JPhysCondensMatterInstPhysJ_2013_v25_p295501
PEXSI does not lead to loss of the accuracy required in a practical
DFT calculation.},
}
@Article{Li_arXiv_2015_p1503.00097,
author = {Pengfei Li and Xiaohui Liu and Mohan Chen and Peize Lin and Xinguo Ren
and Lin Lin and Chao Yang and Lixin He},
title = {{Large-scale ab initio simulations based on systematically improvable
atomic basis}},
journal = {arXiv},
year = 2015,
pages = {1503.00097},
doi = {10.48550/arXiv.1503.00097},
abstract = {We present a first-principles computer code package (ABACUS) that is
based on density functional theory and numerical atomic basis sets.
Theoretical foundations and numerical techniques used in the code are
described, with focus on the accuracy and transferability of the
hierarchical atomic basis sets as generated using a scheme proposed by
Chen, Guo and He [J. Phys.:Condens. Matter
{\textbackslash}textbf{\{}22{\}}, 445501 (2010)]. Benchmark results
are presented for a variety of systems include molecules, solids,
surfaces, and defects. All results show that the ABACUS package with
its associated atomic basis sets is an efficient and reliable tool for
simulating both small and large-scale materials.},
}
@Article{Liu_JChemPhys_2017_v147_p64505,
author = {Xiaohui Liu and Daye Zheng and Xinguo Ren and Lixin He and Mohan Chen},
title = {{First-principles molecular dynamics study of deuterium diffusion in
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