Spurious Oscillations Caused by Density Functional Approximations: Who is to Blame? Exchange or Correlation?

  1. Sitkiewicz, S.P.
  2. Ferradás, R.R.
  3. Ramos-Cordoba, E.
  4. Zaleśny, R.
  5. Matito, E.
  6. Luis, J.M.
Zeitschrift:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Datum der Publikation: 2024

Ausgabe: 20

Nummer: 8

Seiten: 3144-3153

Art: Artikel

DOI: 10.1021/ACS.JCTC.3C01339 GOOGLE SCHOLAR lock_openOpen Access editor

Objetivos de desarrollo sostenible

Datenquelle: Scopus