diff --git a/source/_data/pub.bib b/source/_data/pub.bib index 43d5f6c7..a52b56ee 100644 --- a/source/_data/pub.bib +++ b/source/_data/pub.bib @@ -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 @@ -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