Search results for: LiCs molecule

• The 41Σ+ electronic state of LiCs molecule

  Publication

  • J. Szczepkowski
  • P. Jasik
  • A. Grochola
  • W. Jastrzębski
  • J. E. Sienkiewicz
  • P. Kowalczyk

  - The European Physical Journal-Special Topics - Year 2013

  The 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...

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• Potential energy surfaces of the low-lying electronic states of the Li+LiCs system

  Publication

  • P. Jasik
  • T. Kilich
  • J. Kozicki
  • J. E. Sienkiewicz

  - CHEMICAL PHYSICS LETTERS - Year 2018

  Ab initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...

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