Density-gradient expressions for the correlation-energy of many-electron systems

R. López-Boada, R. Pino, E. Valderrama

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


Based on gradient expansion approximations to an earlier proposed method [Chem. Phys. Lett. 175 (1990) 641; J. Mol. Struct. (Theochem) 287 (1993) 11] we presently report a new derivation of correlation functionals. Their application to atoms and molecules is discussed. A relation between the correlation energy and the expectation value of r2 is derived.

Original languageEnglish (US)
Pages (from-to)197-202
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Issue number1-3
StatePublished - Jun 25 1999


  • Correlation energy functional
  • Density functional theory
  • Gradient expansion

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry


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