中国科学院机构知识库网格系统: 检索

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	Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文 OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 267, 页码: 8 作者: Shang, Honghui; Duan, Xiaohui; Li, Fang; Zhang, Libo; Xu, Zhiqian \| 收藏 \| 浏览/下载：62/0 \| 提交时间：2021/12/01 Density-functional perturbation theory Many-core architecture Linear scaling MPI Numeric atomic orbitals
	Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文 OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2021, 卷号: 258, 页码: 11 作者: Shang, Honghui; Liang, WanZhen; Zhang, Yunquan; Yang, Jinlong \| 收藏 \| 浏览/下载：45/0 \| 提交时间：2021/12/01 Density-functional perturbation theory Linear scaling MPI Numeric atomic orbitals Density-function theory
	The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文 OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9 作者: Shang, Honghui; Xu, Lei \| 收藏 \| 浏览/下载：58/0 \| 提交时间：2020/12/10 Density-functional theory Hartree-Fock Hybrid functionals Numeric atomic orbitals Linear scaling MPI
	Fully relativistic theories and methods for NMR parameters 期刊论文 OAI收割 THEORETICAL CHEMISTRY ACCOUNTS, 2012, 卷号: 131, 期号: 1 作者: Xiao, Yunlong; Sun, Qiming; Liu, Wenjian \| 收藏 \| 浏览/下载：16/0 \| 提交时间：2019/04/09 Nmr Parameters Four-component Relativistic Theories Orbital Decomposition Magnetic Balance Gauge-including Atomic Orbitals
	ELECTRONIC AND MAGNETIC-STRUCTURE OF THE TERNARY COMPOUND ND2FE17N 期刊论文 OAI收割 physical review b, 1992, 卷号: 46, 期号: 21, 页码: 13874-13880 GU ZQ; LAI WY; ZHONG XF; CHING WY 收藏 \| 浏览/下载：204/0 \| 提交时间：2010/11/15 ORTHOGONALIZED LINEAR-COMBINATIONS RARE-EARTH INTERMETALLIC COMPOUNDS ATOMIC ORBITALS Y2FE14B R2FE17