Tests of INDO/1s and INDOXI/1s methods for the calculation of the static potential for electron scattering by CO

Donald G. Truhlar, Frederic A. Van-Catledge

Research output: Contribution to journalLetterpeer-review

6 Scopus citations

Abstract

The semiempirical molecular orbital methods are used to calculate the equilibrium, geometry ground-state potential for N2 and CO. It is demonstrated that the potential thus calculated is useful for electron scattering calculations (AIP).

Original languageEnglish (US)
Pages (from-to)5536-5538
Number of pages3
JournalJournal of Chemical Physics
Volume65
Issue number12
DOIs
StatePublished - Dec 15 1976

Keywords

  • CARBON MONOXIDE
  • ELECTRON-MOLECULE COLLISIONS
  • MOLECULAR ORBITAL METHOD
  • NITROGEN
  • POTENTIAL ENERGY

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