A theoretical study of the BeF molecule in theX2Σ+state
- 10 August 1989
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 67 (5) , 1129-1140
- https://doi.org/10.1080/00268978900101681
Abstract
A potential energy curve and a dipole moment function are computed for the X 2Σ+ state of the BeF molecule using the multi-reference singles and doubles configuration interaction approach. Vibrationally averaged dipole moments, radiative transition probabilities and radiative lifetimes are reported for several vibrational levels and selected rotational levels together with the corresponding spectroscopic constants. Agreement of the vibrational spacings with the available experimental ones is 15 cm-1 on the average. A value of 5·92 eV is also obtained for the dissociation energy D 0.Keywords
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