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.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Year of publication: 2024

Volume: 20

Issue: 8

Pages: 3144-3153

Type: Article

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

Sustainable development goals

Data source: Scopus