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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:19/0  |  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:19/0  |  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:34/0  |  提交时间:2021/12/01
Density-functional perturbation theory  Linear scaling  MPI  Numeric atomic orbitals  Density-function theory  
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:19/0  |  提交时间:2021/12/01
MP2  NAO  real-space  Hartree–  Fock  periodic system