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Spurious states of the dirac equation in a finite basis set

✍ Scribed by I. I. Tupitsyn; V. M. Shabaev


Book ID
110175758
Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
213 KB
Volume
105
Category
Article
ISSN
0030-400X

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Kinetic balance and variational bounds f
✍ Kenneth G. Dyall; Knut FΓ¦gri Jr. πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 637 KB

We have investigated bounds failure in calculations using Gaussian basis sets for the solution of the one&ctron Dirac equation "+ for the 2~~~~ state of Hg . We show that bounds failure indicates inadequacies in the basis set, both in terms of the exponent range and the number of functions. We also