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A highly accurate calculation for the electronic states of H+2 in B-spline basis

โœ Scribed by Cheng-Chang Chen; Ho-ping Chang; Chen-Shiung Hsue

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
321 KB
Volume
217
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

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. The quadrupole moments of Hz were also calculated by the eigenfunctions along with 13-figure accuracy having been achieved.

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