Journal of Chemical Physics, Vol.106, No.6, 2541-2543, 1997
The 1(1)Pi and 2(1)Pi Twin States of Krb Revisited
We performed new ab initio calculations with a core-polarization-potential treatment of the core-valence correlation for the ground and the two first (1) Pi excited states of the KRb dimer. Contrary to a previous result [Phys. Rev. A 51, 1929 (1995)], the potential curves obtained are now in perfect agreement with recent experimental studies. However, it is shown that the qualitative discussion given previously remains valid.