Anionic States of LiFLi

Abstract

Our ab initio theoretical calculations indicate that the LiFLi- anion possesses two bound states which are of 1 sigma g + and 3 sigma u + symmetry and which have vertical detachment energies of 0.94 and 0.89 eV, respectively. The LiFLi+ cation and the first four electronic states of the neutral LiFLi were also considered. The Renner-Teller splitting for the excited 2 pi u state of the neutral is reported. The neutral and both ions are thermodynamically stable.

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Document Details

Document Type
Technical Report
Publication Date
Apr 22, 1994
Accession Number
ADA278830

Entities

People

  • Jack Simons
  • Maciej Gutowski

Organizations

  • University of Utah

Tags

DTIC Thesaurus Topics

  • Alkali Metals
  • Atomic Orbitals
  • Atoms
  • Chemistry
  • Electronic States
  • Electrons
  • Energy
  • First Principles Calculations
  • Frequency
  • Geometry
  • Ground State
  • Ionization
  • Ionization Potentials
  • Military Research
  • Potential Energy
  • Small Molecules
  • United States Government

Fields of Study

  • Physics

Readers

  • Quantum Chemistry

Technology Areas

  • Microelectronics