Non-adiabatic effects on properties of the hydrogen molecular cation and its isotopomers
Titel:
Non-adiabatic effects on properties of the hydrogen molecular cation and its isotopomers
Auteur:
MOSS, R.E.
Verschenen in:
Molecular physics
Paginering:
Jaargang 97 (1999) nr. 1-2 pagina's 3-9
Jaar:
1999-07-20
Inhoud:
It is shown how accurate non-adiabatic properties of H+2, D+2 and HD+ may be obtained, even for vibrational levels near dissociation. The bond lengths of rotationless levels are calculated and it is reported that, as a function of dissociation energy, non-adiabatic corrections, as well as adiabatic corrections, scale with the reduced mass for the homonuclear ions. For HD+, if that part of the non-adiabatic correction due to mass asymmetry is allowed for separately, then the remaining non-adiabatic corrections also scale. However, the ν = 20 level of HD+ proves to be anomalous in that its non-adiabatic correction is opposite in sign to those for other levels; this anomaly is discussed. The electric dipole moment of HD+ is also studied.
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