POTENTIAL-ENERGY CURVES OF THE LOWER STATES OF CN+

Extended basis SCF CI potential curves for the low lying3Π, 1∑+,1∏ and3∑ states of CN+ are reported. Equilibrium distances, with known experimental values in parentheses, are re(1∑+) = 1·176 (1·173)Å, re(∏) = 1·247 (1·248) Å, re(3Π) = 1·238 Å and re(3∑-) = 1·346 Å. The nature of the ground state, whether3∏ or1∑+, is found to depend on the quality of the CI treatment undertaken. Our most extensive calculation makes these two states almost degenerate. © 1979 Taylor & Francis Ltd.