Extended application of Kohn-Sham first-principles molecular dynamics   method with plane wave approximation at high energy-From cold materials   to hot dense plasmas

doi:10.1063/1.4947212

CORC > 北京大学 > 工学院

	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
	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).