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Treatment of Semicore States In the Linearized Augmented-plane-wave Method and Other Linearized Electronic-structure Methods
JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)
 
ID 2832542
Author(s) Goedecker, S.
Author(s) at UniBasel Goedecker, Stefan
Year 1993
Title Treatment of Semicore States In the Linearized Augmented-plane-wave Method and Other Linearized Electronic-structure Methods
Journal Physical review B
Volume 47
Number 15
Pages / Article-Number 9881-9883
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.
Publisher American Physical Society
ISSN/ISBN 0163-1829 ; 2469-9969
edoc-URL https://edoc.unibas.ch/73963/
Full Text on edoc No
Digital Object Identifier DOI 10.1103/PhysRevB.47.9881
PubMed ID http://www.ncbi.nlm.nih.gov/pubmed/10005062
ISI-Number 1993KZ50800083
Document type (ISI) Journal Article
 
   

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