Abstract

The representation of potential energy curves by continued fractions is investigated and shown to be a useful method in the extrapolation of data. A generalization of the method is presented that enables one to treat avoided crossing problems. Given data on one curve involved in the avoided crossing, it is possible to obtain a good approximation to the other. Results for various model calculations and for the H2 (E. F1Σ+θ) and CO (1Σ+) potential curves are presented.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call