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浏览/检索结果: 共13条，第1-10条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Many-core acceleration of the first-principles all-electron quantum perturbation calculations 期刊论文 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：49/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Many-core architecture  Linear scaling  MPI  Numeric atomic orbitals   Controlled synthesis and Raman study of a 2D antiferromagnetic P-type semiconductor: alpha-MnSe dagger 期刊论文 NANOSCALE, 2021, 页码: 12 作者:  Li, Ningning;  Zhu, Leilei;  Shang, Honghui;  Wang, Feng;  Zhang, Yu 收藏  |  浏览/下载：20/0  |  提交时间：2021/12/01 Capturing the Electron-Phonon Renormalization in Molecules from First-Principles 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 卷号: 125, 期号: 12, 页码: 2682-2689 作者:  Shang, Honghui;  Yang, Jinlong 收藏  |  浏览/下载：16/0  |  提交时间：2021/12/01 Assessment of the Mass Factor for the Electron-Phonon Coupling in Solids 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125, 期号: 11, 页码: 6479-6485 作者:  Shang, Honghui;  Zhao, Jin;  Yang, Jinlong 收藏  |  浏览/下载：9/0  |  提交时间：2021/12/01 Anharmonic Raman spectra simulation of crystals from deep neural networks 期刊论文 AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 6 作者:  Shang, Honghui;  Wang, Haidi 收藏  |  浏览/下载：16/0  |  提交时间：2021/12/01 Efficient parallel linear scaling method to get the response density matrix in all-electron real-space density-functional perturbation theory 期刊论文 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：147/0  |  提交时间：2021/12/01 Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory   The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set 期刊论文 AIP ADVANCES, 2021, 卷号: 11, 期号: 1, 页码: 10 作者:  Shang, Honghui 收藏  |  浏览/下载：21/0  |  提交时间：2021/12/01 Implementation of Laplace Transformed MP2 for Periodic Systems With Numerical Atomic Orbitals 期刊论文 FRONTIERS IN CHEMISTRY, 2020, 卷号: 8, 页码: 6 作者:  Shang, Honghui;  Yang, Jinlong 收藏  |  浏览/下载：4/0  |  提交时间：2021/12/01 MP2  NAO  real-space  Hartree–  Fock  periodic system   The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package 期刊论文 COMPUTER PHYSICS COMMUNICATIONS, 2020, 卷号: 254, 页码: 9 作者:  Shang, Honghui;  Xu, Lei;  Wu, Baodong;  Qin, Xinming;  Zhang, Yunquan 收藏  |  浏览/下载：9/0  |  提交时间：2020/12/10 Density-functional theory  Hartree-Fock  Hybrid functionals  Numeric atomic orbitals  Linear scaling  MPI   Influence of high-energy local orbitals and electron-phonon interactions on the band gaps and optical absorption spectra of hexagonal boron nitride 期刊论文 PHYSICAL REVIEW B, 2020, 卷号: 102, 期号: 4, 页码: 9 作者:  Shen, Tong;  Zhang, Xiao-Wei;  Shang, Honghui;  Zhang, Min-Ye;  Wang, Xinqiang 收藏  |  浏览/下载：20/0  |  提交时间：2020/12/10