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Atomic basis calculations for the two-electron system Li2+-H

✍ Scribed by A. Henne; H.J. Lüdde; A. Toepfer; R.M. Dreizler

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
149 KB
Volume
124
Category
Article
ISSN
0375-9601

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B-spline basis is successfully applied in this study towards the Schrijdinger equation of one-electron diatomic molecules in spheroidal coordinates. 1Cfigure accuracy was obtained for the eigen-energies of the lowest states of Hz and HeH2+. Those results were compared with the best published results