Ab initio electronic structure calculations based on numerical atomic orbitals: Basic fomalisms and recent progresses.
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| Title: | Ab initio electronic structure calculations based on numerical atomic orbitals: Basic fomalisms and recent progresses. |
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| Authors: | Lin, Peize1,2, Ren, Xinguo1, renxg@iphy.ac.cn, Liu, Xiaohui3, He, Lixin4,5, helx@ustc.edu.cn |
| Source: | WIREs: Computational Molecular Science; Jan/Feb2024, Vol. 14 Issue 1, p1-38, 38p |
| Database: | Applied Science & Technology Source |
| ISSN: | 17590876 |
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| DOI: | 10.1002/wcms.1687 |
