Relativistic Xα scattered-wave calculations for C2 and I2

✍ Scribed by Cary Y. Yang

• Book ID: 103017274
• Publisher: Elsevier Science
• Year: 1976
• Tongue: English
• Weight: 520 KB
• Volume: 41
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(76)85423-1

✦ Synopsis

A scattered-wave method Zased on the one-electron Dirac equation and the muffi-tin potential approximation has been successfiilIy applied to the simple molecules Cs and 12. For Ca. the relativistic calculations yield the expected limiting-case results, while the results for 12 compare very weU with the experimental ionization potentials and excitation spectra-' Supported by ARPA Order 2380, DOD Grant DAHC IS-73-GIJ, and by NSF Grant DMR 7243025. * Bati in part on a dissertation submitted to the Graduate FrcuIty o,E the University of Pennsylvania in partial fulfiltnent of the requirements for the Ph.D. degree.