skip to main content
Idioma:

Rotation–vibrational states of and the adiabatic approximation

Alijah, Alexander ; Hinze, Juergen

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2006-11, Vol.364 (1848), p.2877-2888 [Periódico revisado por pares]

London: The Royal Society

Texto completo disponível

Citações Citado por
  • Título:
    Rotation–vibrational states of and the adiabatic approximation
  • Autor: Alijah, Alexander ; Hinze, Juergen
  • Assuntos: Adiabatic Approximation ; Adiabatic Corrections ; Angular momentum ; Approximation ; Coordinate systems ; Energy ; H3 ; Molecules ; Non-Adiabatic Corrections ; Potential energy ; Quantum numbers ; Rotation-Vibrational States ; Rotational states ; Spectroscopy ; Wave functions
  • É parte de: Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2006-11, Vol.364 (1848), p.2877-2888
  • Notas: istex:9C606762E4FC29F9DFFAB9EC8A79029E8AAF8D41
    ArticleID:rsta20061860
    ark:/67375/V84-5QLMKBN0-X
    href:2877.pdf
    Discussion Meeting Issue 'Physics, chemistry and astronomy of H 3 +' organized by Takeshi Oka
  • Descrição: We discuss recent progress in the calculation and identification of rotation-vibrational states of at intermediate energies up to 13 000 cm−1. Our calculations are based on the potential energy surface of Cencek et al. which is of sub-microhartree accuracy. As this surface includes diagonal adiabatic and relativistic corrections to the fixed nuclei electronic energies, the remaining discrepancies between our calculated and experimental data should be due to the neglect of non-adiabatic coupling to excited electronic states in the calculations. To account for this, our calculated energy values were adjusted empirically by a simple correction formula. Based on our understanding of the adiabatic approximation, we suggest two new approaches to account for the off-diagonal adiabatic correction, which should work; however, they have not been tested yet for . Theoretical predictions made for the above-barrier energy region of recent experimental interest are accurate to 0.35 cm−1 or better.
  • Editor: London: The Royal Society
  • Idioma: Inglês
Voltar para lista de resultados

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

Buscando em bases de dados remotas. Favor aguardar.