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Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, 页码: 15
作者:  Tahir, Muhammad N.;  Zhu, Tong;  Shang, Honghui;  Li, Jia;  Blum, Volker;  Ren, Xinguo
收藏  |  浏览/下载:20/0  |  提交时间:2022/12/07
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:19/0  |  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:19/0  |  提交时间:2021/12/01
MP2  NAO  real-space  Hartree–  Fock  periodic system