Convergence of Experiment and Theory on the Pure Vibrational Spectrum of HeH

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Date

2006

Authors

Stanke, Monika
Kedziera, Dariusz
Molski, Marcin
Bubin, Sergiy
Barysz, Maria
Adamowicz, Ludwik

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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

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Keywords

Research Subject Categories::NATURAL SCIENCES::Physics, quantum mechanical calculations, Born-Oppenheimer approximation, pure vibrational spectrum of the HeH+

Citation

Monika Stanke, Dariusz Ke˛dziera, Marcin Molski, Sergiy Bubin, Maria Barysz, Ludwik Adamowicz; 2006; Convergence of Experiment and Theory on the Pure Vibrational Spectrum of HeH; PHYSICAL REVIEW LETTERS

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