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Works (5)

SPARC: Simulation Package for Ab-initio Real-space Calculations

SoftwareX
2021-07 | Journal article
DOI: 10.1016/j.softx.2021.100709
Contributors: Qimen Xu; Abhiraj Sharma; Benjamin Comer; Hua Huang; Edmond Chow; Andrew J. Medford; John E. Pask; Phanish Suryanarayana
Source: check_circle
Crossref

Implementation of Perdew–Zunger self-interaction correction in real space using Fermi–Löwdin orbitals

The Journal of Chemical Physics
2021-02-28 | Journal article
DOI: 10.1063/5.0031341
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Qimen Xu

M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

SoftwareX
2020-01 | Journal article
DOI: 10.1016/j.softx.2020.100423
Part of ISSN: 2352-7110
Source: Self-asserted source
Qimen Xu

On preconditioning the self-consistent field iteration in real-space Density Functional Theory

Chemical Physics Letters
2020-01 | Journal article
DOI: 10.1016/j.cplett.2019.136983
Part of ISSN: 0009-2614
Source: Self-asserted source
Qimen Xu

Discrete discontinuous basis projection method for large-scale electronic structure calculations

The Journal of Chemical Physics
2018-09-07 | Journal article
DOI: 10.1063/1.5037794
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Qimen Xu
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