Abstract
Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH+ molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental data. The calculations are performed without assuming the Born-Oppenheimer approximation regarding separability of the nuclear and electronic motions and include the first order relativistic mass-velocity and Darwin corrections. For the two lowest transitions, whose experimental energies are established with the highest precision, the calculated and the experimental results show very good agreement.
| Original language | English |
|---|---|
| Article number | 233002 |
| Journal | Physical Review Letters |
| Volume | 96 |
| Issue number | 23 |
| DOIs | |
| Publication status | Published - 2006 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Convergence of experiment and theory on the pure vibrational spectrum of HeH+. / Stanke, Monika; Kȩdziera, Dariusz; Molski, Marcin; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik.
In: Physical Review Letters, Vol. 96, No. 23, 233002, 2006.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Convergence of experiment and theory on the pure vibrational spectrum of HeH+
AU - Stanke, Monika
AU - Kȩdziera, Dariusz
AU - Molski, Marcin
AU - Bubin, Sergiy
AU - Barysz, Maria
AU - Adamowicz, Ludwik
PY - 2006
Y1 - 2006
N2 - Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH+ molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental data. The calculations are performed without assuming the Born-Oppenheimer approximation regarding separability of the nuclear and electronic motions and include the first order relativistic mass-velocity and Darwin corrections. For the two lowest transitions, whose experimental energies are established with the highest precision, the calculated and the experimental results show very good agreement.
AB - Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH+ molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental data. The calculations are performed without assuming the Born-Oppenheimer approximation regarding separability of the nuclear and electronic motions and include the first order relativistic mass-velocity and Darwin corrections. For the two lowest transitions, whose experimental energies are established with the highest precision, the calculated and the experimental results show very good agreement.
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UR - http://www.scopus.com/inward/citedby.url?scp=33745203528&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.96.233002
DO - 10.1103/PhysRevLett.96.233002
M3 - Article
VL - 96
JO - Physical Review Letters
JF - Physical Review Letters
SN - 0031-9007
IS - 23
M1 - 233002
ER -