Radius of Convergence of the 1/Z-Expansion for Diatomic Molecules: The Ground State of the Isoelectronic H2Sequence.
Please always quote using this URN: urn:nbn:de:0297-zib-721
- Using the perturbational-variational Rayleigh-Ritz matrix formalism, the 1/Z-expansion for the ground state of the isoelectronic $H_2$ sequence in the range of the internuclear distance $0.2\le R \le 9.0$ is calculated. Also lower bounds of the radius of convergence, based on Kato's theory of linear operators, are given. The numerical results of the 1/Z-expansion can be compared with the exact results and do not converge in the whole R-range. This behavior is in qualitative agreement with the lower bounds for the radius of convergence and enlights some still open properties of 1/Z- expansions for this sequence in the literature. {\bf PACS:} 31.15 + q; 31.20 Di; 31.20 Tz.
| Author: | Jörg Ackermann, K. HELFRICH |
|---|---|
| Document Type: | ZIB-Report |
| Date of first Publication: | 1992/03/10 |
| Series (Serial Number): | ZIB-Report (SC-92-02) |
| ZIB-Reportnumber: | SC-92-02 |
