Radius of Convergence of the 1/Z-Expansion for Diatomic Molecules: The Ground State of the Isoelectronic H2 Sequence.
| SC 92-02 | Jörg Ackermann, K. HELFRICH
Radius of Convergence of the 1/Z-Expansion for Diatomic Molecules: The Ground State of the Isoelectronic H2 Sequence. | |
Abstract: Using the perturbational-variational
Rayleigh-Ritz matrix formalism, the 1/Z-expansion for the
ground state of the isoelectronic 
sequence in the
range of the internuclear distance
is
calculated. Also lower bounds of the radius of convergence,
based on Katos 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.
PACS: 31.15 + q; 31.20 Di; 31.20 Tz.
PACS: 31.15.+q, 31.20.Di, 31.20Tz