Phase shifts of continuum functions through a discretization method

✍ Scribed by F. Martín; A. Salin

• Book ID: 103027918
• Publisher: Elsevier Science
• Year: 1989
• Tongue: English
• Weight: 414 KB
• Volume: 157
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(89)87224-0

✦ Synopsis

We present a generalization of the discretization method of Macias et al. that permits the determination of scattering wavefunctions in a domain of the asymptotic region. The phase shifts and the normalization of these functions are obtained after a contiguration interaction calculation which uses standard quantum chemistry ST0 basis sets that are chosen according to some simple rules. As an illustration, some phase shifts are calculated for electron-H and electron-He+ scattering functions and compared with exact results,