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5 articles related to "Pseudopotential"

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Articles

Original Research

Published on 18 Mar 2021

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

in Chemical Physics and Physical Chemistry

Eric J. Bylaska
Duo Song
Nicholas P. Bauman
Karol Kowalski
Daniel Claudino
Travis S. Humble

Frontiers in Chemistry

doi 10.3389/fchem.2021.603019

5,950 views
17 citations

Original Research

Published on 01 Mar 2023

Oblique propagation of arbitrary amplitude ion acoustic solitary waves in anisotropic electron positron ion plasma

in Mathematical Physics

Almas
Ata-ur-Rahman
Muhammad Khalid
Sayed M. Eldin

Frontiers in Physics

doi 10.3389/fphy.2023.1144175

2,531 views
11 citations

Original Research

Published on 16 Jun 2021

Properties and Configurations of B-N Co-Doped ZnO Nanorods Fabricated on ITO/PET Substrate

in Solar Energy

Jianchao Jiang
Liyun Jiang
Ping Rong
Kechen Wu
Qingqing Yang
Qi Yu

Frontiers in Energy Research

doi 10.3389/fenrg.2021.700901

2,390 views
2 citations

Review

Published on 14 Apr 2022

Simulation of the Band Structure of InAs/GaSb Type II Superlattices Utilizing Multiple Energy Band Theories

in Optics and Photonics

Shuiliu Fang
Ruiting Hao
Longgang Zhang
Jie Guo
Wuming Liu

Frontiers in Physics

doi 10.3389/fphy.2022.822800

11,168 views
14 citations

Review

Published on 22 Jul 2022

Recent Advances in Cartesian-Grid DFT in Atoms and Molecules

in Theoretical and Computational Chemistry

Sangita Majumdar
Amlan K. Roy

Frontiers in Chemistry

doi 10.3389/fchem.2022.926916

5,536 views
6 citations