Communication: Rotational g-factor and spin-rotation constant of CH+.
The rotational g-factor and spin-rotation constants of the methylidynium ion CH(+) have been calculated for the first time with a large multiconfigurational self-consistent field wave function and at the coupled-cluster singles and doubles level augmented by a perturbative triples correction. The results for an equilibrium internuclear distance as well as for the v=0, J=1 vibration-rotational state are presented.
Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark. sauer@kiku.dk
Stephan P A
SP
Sauer