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Fully numerical soluti ons of molecular Dirac equations for highly charged one-electron homonuclear diatomic molecules

✍ Scribed by Dage Sundholm


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
470 KB
Volume
223
Category
Article
ISSN
0009-2614

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Solution of the one-electron Dirac equat
✍ C. DΓΌsterhΓΆft; L. Yang; D. Heinemann; D. Kolb πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 269 KB

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 accur