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Nonlocal screened exchange forK andCu

Нелокальные экранированные обменные потенциалы для K и Cu

  • Published:
Il Nuovo Cimento B (1971-1996)

Summary

For nonlocal screened exchange potentials the band structures of K and Cu were calculated by use of the MAPW method. The screening constants were determined by fits to experimental data. The results are compared with other theoretical investigations using HFS exchange.

Riassunto

Si calcola la struttura a bande del potassio e del rame con il metodo MAPW usando potenziali di scambio schermato non locali. Le costanti di schermo sono staterminate da dati sperimentali. Si confrontano i risultati con altri studi teorici con scambio HFS.

Резюме

Используя метод MAPW, вычисляются зонные структуры K и Cu для нелокальных экранированных обменных потенциалов. Постоянные экранирования опредеделяются из подгонки экспериментальных данных. Полученные результаты сравниваются с другими теоретическими исследованиями, используя обмен HFS.

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Authors and Affiliations

  1. Sektion Physik, Universität München, München

    H. Bross, C. Merkel & H. Stöhr

Authors
  1. H. Bross
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  2. C. Merkel
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  3. H. Stöhr
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Bross, H., Merkel, C. & Stöhr, H. Nonlocal screened exchange forK andCu . Nuov Cim B 23, 27–36 (1974). https://doi.org/10.1007/BF02737496

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  • DOI: https://doi.org/10.1007/BF02737496

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