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Gaussian basis expansion of the QED light cone Hamiltonian

✍ Scribed by Vasilios G. Koures


Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
501 KB
Volume
348
Category
Article
ISSN
0370-2693

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The use of gaussian nuclear charge distr
✍ O. Visser; P.J.C. Aerts; D. Hegarty; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1987 πŸ› Elsevier Science 🌐 English βš– 416 KB

It is demonstrated that the use of a Gaussian charge distribution to represent the nucleus is advantageous in relativistic quantum chemical basis set expansion calculations. It removes the singularity at the origin of the Dirac wavefunction, leading to a more rapid convergence of the ground-state en