Title of article :
The calculation of the vibrational states of SO2 in the C̃ 1B2 electronic state up to the SO(3Σ−)+O(3P) dissociation limit
Author/Authors :
Ota Bludsky، نويسنده , , Ota and Nachtigall، نويسنده , , Petr and Hru??k، نويسنده , , Jan and Jensen، نويسنده , , Per، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Abstract :
In a previous paper [P. Nachtigall, J. Hrusak, O. Bludsky, S. Iwata, Chem. Phys. Lett. 303 (1999) 441], we reported an investigation of the stationary points along the dissociation path of C̃ 1B2 SO2, carried out with high-level ab initio methods. Here we calculate the vibrational energy levels up to the SO(3Σ−)+O(3P) dissociation limit using a scaled ab initio potential energy surface. The scaled potential energy surface is of near-spectroscopic accuracy below the dissociation limit and has a realistic behaviour along the dissociation path.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters