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Potential Energy Curves for X1Σ+ and A1Π States of CO: The A1Π(v′=1–23)←X1Σ+(v″=0, 1) Transitions

✍ Scribed by I Borges Jr.; P.J.S.B Caridade; A.J.C Varandas

Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
162 KB
Volume
209
Category
Article
ISSN
0022-2852

No coin nor oath required. For personal study only.

✦ Synopsis

We report new potential energy curves for the X 1 + and A 1 states of the CO molecule by employing the realistic extended Hartree-Fock approximate correlation energy model for diatomics with inclusion of the united-atom limit (EHFACE2U). Special care has been taken to describe the A 1 potential maximum, since this affects the vibrational wave functions of the highest vibrational levels. The corresponding vibronic spectroscopy and Franck-Condon factors (v = 0, 1) have also been calculated using accurate ab initio transition dipole moments. Comparison has been made with recent theoretical and experimental data.

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