Skip to main content

2 articles related to "Hamiltonian Matrix"

No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.
No matches to your query could be found. Try another search term.

Articles

Original Research

Published on 26 May 2023

OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources

in Theoretical and Computational Chemistry

Zhikun Wu
Honghui Shang
Yangjun Wu
Zhongcheng Zhang
Ying Liu
Yuyang Zhang
Yucheng Ouyang
Huimin Cui
Xiaobing Feng

Frontiers in Chemistry

doi 10.3389/fchem.2023.1156891

3,568 views
1 citation

Original Research

Published on 26 Nov 2020

Parallel Implementation of Large-Scale Linear Scaling Density Functional Theory Calculations With Numerical Atomic Orbitals in HONPAS

in Theoretical and Computational Chemistry

Zhaolong Luo
Xinming Qin
Lingyun Wan
Wei Hu
Jinlong Yang

Frontiers in Chemistry

doi 10.3389/fchem.2020.589910

5,864 views
8 citations