Goedecker, S.. (1993) Treatment of Semicore States In the Linearized Augmented-plane-wave Method and Other Linearized Electronic-structure Methods. Physical review B, 47 (15). pp. 9881-9883.
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Official URL: https://edoc.unibas.ch/73963/
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Abstract
We show that elements with semicore states can be treated by standard linearized methods if the radius of the muffin-tin sphere is chosen smaller than in standard implementations and if appropriate radial basis functions are used.
| Faculties and Departments: | 05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker) |
|---|---|
| UniBasel Contributors: | Goedecker, Stefan |
| Item Type: | Article, refereed |
| Article Subtype: | Research Article |
| Publisher: | American Physical Society |
| ISSN: | 0163-1829 |
| e-ISSN: | 2469-9969 |
| Note: | Publication type according to Uni Basel Research Database: Journal article |
| Identification Number: |
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| Last Modified: | 16 Apr 2020 10:38 |
| Deposited On: | 16 Apr 2020 10:38 |
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