Abstract

Linear Jahn–Teller coupling constants are obtained by the angular overlap model. A comparison with the data published recently [Parrot et al., J. Chem. Phys. 87, 1463 (1987)] is made in order to demonstrate the considerable improvement in the calculated Jahn–Teller coefficients when the parameters of the angular overlap model are extracted from a spectral analysis of the systems under consideration.

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