机构

• 上海应用物理研究所 [3]
• 地质与地球物理研究所 [2]
• 计算技术研究所 [2]
• 福建物质结构研究所 [2]
• 物理研究所 [1]
• 金属研究所 [1]
• 更多

采集方式

• OAI收割 [17]

内容类型

• 期刊论文 [16]
• 会议论文 [1]

发表日期

• 2021 [2]
• 2020 [1]
• 2019 [1]
• 2017 [1]
• 2016 [2]
• 2015 [1]
• 更多

学科主题

• Physics [1]

筛选

浏览/检索结果: 共17条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 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：53/0  |  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：41/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory   Phase diagram of two-color QCD matter at finite baryon and axial isospin densities * 期刊论文  OAI收割 CHINESE PHYSICS C, 2020, 卷号: 44, 期号: 3, 页码: 8 作者:  Chao, Jingyi   |  收藏  |  浏览/下载：29/0  |  提交时间：2022/01/18 two-color QCD  diquarks  chiral perturbation theory  axial isospin density  NJL model   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L   |  收藏  |  浏览/下载：46/0  |  提交时间：2020/10/16 DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY   Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings 期刊论文  OAI收割 ADVANCED ELECTRONIC MATERIALS, 2017, 卷号: 3, 期号: 11 作者:  Nakamura, Yuma;  Zhao, Tianqi;  Xi, Jinyang;  Shi, Wen;  Wang, Dong   |  收藏  |  浏览/下载：42/0  |  提交时间：2019/04/09 2d Materials  Carrier Mobility Calculations  Density Functional Perturbation Theory  Electron-phonon Couplings  Stanene   Density prediction of pyridinium, imidazolium, pyrrolidinium, ammonium, and phosphonium-based ionic liquids using an equation of state 期刊论文  OAI收割 FLUID PHASE EQUILIBRIA, 2016, 卷号: 427, 期号: NOV, 页码: 406-413 作者:  Xu, Hongxiang;  Li, Haoran;  Wang, Junfeng 收藏  |  浏览/下载：32/0  |  提交时间：2016/11/21 Equation of state  Ionic liquid  Density  Prediction  Perturbation theory   Recent developments in the ABINIT software package 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131 作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.   |  收藏  |  浏览/下载：35/0  |  提交时间：2018/07/30 First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory   Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 7, 页码: 441—448 作者:  Liu, F;  Du, LK;  Gao, J;  Wang, LL;  Song, B 收藏  |  浏览/下载：20/0  |  提交时间：2015/12/09 SYMMETRY-ADAPTED PERTURBATION  CENTER-DOT-N  DENSITY-FUNCTIONAL THEORY  HYDROGEN-BOND  ELECTRON-DONORS  SIGMA-HOLE  NONCOVALENT INTERACTION  MOLECULAR-MECHANICS  CORRELATION-ENERGY  HALOGEN BONDS   Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2014, 卷号: 53, 期号: 14, 页码: 7340—7350 Su, J; Wang, ZM; Pan, DQ; Li, J 收藏  |  浏览/下载：75/0  |  提交时间：2015/03/13 LASER-INDUCED FLUORESCENCE  DENSITY-FUNCTIONAL THEORY  MOLECULAR-ORBITAL METHODS  ELECTRONIC-STRUCTURE  QUANTUM-CHEMISTRY  HYDRATION STRUCTURE  PERTURBATION-THEORY  SPECTROSCOPY TRLFS  URANYL COMPLEXES  CHARGE-TRANSFER   Roughness analysis of optical surfaces by X-ray scattering (EI CONFERENCE) 会议论文  OAI收割 2011 International Conference on Electronics and Optoelectronics, ICEOE 2011, July 29, 2011 - July 31, 2011, Dalian, China 作者:  Chen B.;  Chen B. 收藏  |  浏览/下载：26/0  |  提交时间：2013/03/25 A grazing incidence x-ray scattering (XRS) method  Order perturbation theory (FOPT)  is stated briefly and an experimental facility based on an improved X-ray diffraction has been introduced  which can work with high performance. The x-ray scattering distributions of two super smooth silicon samples measured at the incidence angle 0.2 degree  as the x-ray wavelength is 0.154 nm  have been given and analyzed by the FOPT to give information about the surface profiles. As a comparison  the root mean square (RMS) surface roughness  grey-scale maps and one-dimensional power spectral density (1D PSD) have been derived from the atomic-force microscope (AFM) data. The results evaluated by FOPT are in good agreement with that of AFM  which indicates that x-ray scattering method is a practical characterization for the investigation of super smooth surfaces. 2011 IEEE.