FICHA · AUR

xcfun-git

Exchange-Correlation functionals with arbitrary order derivatives

  • scientific-computing-library
  • LIBRARY
  • SCIENCE
  • Dev
  • Dependency only
official+codex · reviewed · Jun 5, 2026 description in en

Description

Density-functional theory software can use exchange-correlation functionals with arbitrary-order derivatives. Scientific developers can link this library into simulation codes; numerical results still need domain validation.

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