Abstract
Within the framework of the close-coupling method, ab initio calculations of parameters of multichannel quantum-defect theory have been carried out for several Rydberg series of Ca, Sr, and Ba. A local-density approximation, commonly used in solid-state calculations, including self-consistent, self-energy corrections, was made to the exchange-correlation potential. Good agreement with experimental values of multichannel quantum-defect theory parameters is obtained, permitting accurate prediction of highly excited-state binding energies.
- Received 27 February 1980
DOI:https://doi.org/10.1103/PhysRevLett.44.1583
©1980 American Physical Society