Fixed-nuclei and laboratory-frame formalisms for electron scattering by a spherical top, with full incorporation of symmetry

Najib Abusalbi, David W. Schwenke, C. Alden Mead, Donald G. Truhlar

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

We discuss molecule-frame and laboratory-frame symmetry-adapted formalisms for electron scattering by a spherical top. The molecule-frame formalism is based on the fixed-nuclear-orientation approximation, both for electronically elastic scattering by a vibrationally rigid molecule and also for the more general case where electronic excitation and vibrational degrees of freedom are included. The laboratory-frame formalism is based on the exact symmetries of the problem, which are carefully related to the approximate symmetries of the molecule-frame treatment. We present both the forward and backward transformations between the two representations.

Original languageEnglish (US)
Pages (from-to)333-357
Number of pages25
JournalTheoretica Chimica Acta
Volume71
Issue number5
DOIs
StatePublished - Jun 1 1987

Keywords

  • Close coupling
  • Electron scattering
  • Symmetry

Fingerprint Dive into the research topics of 'Fixed-nuclei and laboratory-frame formalisms for electron scattering by a spherical top, with full incorporation of symmetry'. Together they form a unique fingerprint.

  • Cite this