Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy-From cold materials to hot dense plasmas | |
Zhang, Shen ; Wang, Hongwei ; Kang, Wei ; Zhang, Ping ; He, X. T. | |
刊名 | PHYSICS OF PLASMAS
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2016 | |
关键词 | ELECTRON-GAS EXPERIMENTAL ASTROPHYSICS FUNCTIONAL THEORY LIQUID DEUTERIUM TEMPERATURE SIMULATIONS HUGONIOT LASERS STATE |
DOI | 10.1063/1.4947212 |
英文摘要 | An extended first-principles molecular dynamics (FPMD) method based on Kohn-Sham scheme is proposed to elevate the temperature limit of the FPMD method in the calculation of dense plasmas. The extended method treats the wave functions of high energy electrons as plane waves analytically and thus expands the application of the FPMD method to the region of hot dense plasmas without suffering from the formidable computational costs. In addition, the extended method inherits the high accuracy of the Kohn-Sham scheme and keeps the information of electronic structures. This gives an edge to the extended method in the calculation of mixtures of plasmas composed of heterogeneous ions, high-Z dense plasmas, lowering of ionization potentials, X-ray absorption/emission spectra, and opacities, which are of particular interest to astrophysics, inertial confinement fusion engineering, and laboratory astrophysics. Published by AIP Publishing.; NSFC [11274019]; NSAF [U1530113]; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund; SCI(E); ARTICLE; weikang@pku.edu.cn; zhang_ping@iapcm.ac.cn; xthe@iapcm.ac.cn; 4; 23 |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://ir.pku.edu.cn/handle/20.500.11897/438331] ![]() |
专题 | 工学院 |
推荐引用方式 GB/T 7714 | Zhang, Shen,Wang, Hongwei,Kang, Wei,et al. Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy-From cold materials to hot dense plasmas[J]. PHYSICS OF PLASMAS,2016. |
APA | Zhang, Shen,Wang, Hongwei,Kang, Wei,Zhang, Ping,&He, X. T..(2016).Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy-From cold materials to hot dense plasmas.PHYSICS OF PLASMAS. |
MLA | Zhang, Shen,et al."Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy-From cold materials to hot dense plasmas".PHYSICS OF PLASMAS (2016). |
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