Relativistic Xα scattered-wave calculations for C₂ and I₂

Authors

Cary Y. Yang, Santa Clara UniversityFollow

Document Type

Article

Publication Date

8-1-1976

Publisher

Elsevier B. V.

Abstract

A scattered-wave method based on the one-electron Dirac equation and the muffin-tin potential approximation has been successfully applied to the simple molecules C₂ and I₂. For C₂, the relativistic calculations yield the expected limiting-case results, while the results for I₂ compare very well with the experimental ionization potentials and excitation spectra.

Recommended Citation

C.Y. Yang, “Relativistic Xα scattered-wave calculations for C₂ and I₂,” Chemical Physics Letters 41, 588-592 (1976).