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Solution of the one-electron Dirac equation for the heavy diatomic quasi-molecule NiPb109+ by the finite element method

✍ Scribed by C. Düsterhöft; L. Yang; D. Heinemann; D. Kolb

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
269 KB
Volume
229
Category
Article
ISSN
0009-2614

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✦ Synopsis

A two-dimensional, fully numerical approach to the four-component first-order Dirac equation using the finite element method is employed for diatomic systems. Using the Dirac-Fock approximation with only 2601 grid points we achieve for the heavy quasi-molecule NiPb"'+ at R= 0.002 au a relative accuracy better than 10-s for orbital energies (nuclear repulsion energies ignored).

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