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Regular Two-Component Pauli-Like Effective Hamiltonians in Dirac Theory
Open accessAbstract
The standard Pauli Hamiltonian is highly singular for Coulomb potentials near the nuclei of the atoms. It is shown that the theory of effective Hamiltonians allows the determination of Pauli-like Hamiltonians that are regular enough to be used in variational calculations. A numerical illustration is given for hydrogenic atoms with atomic number varying from Z = 1 to Z = 86. These calculations yield relativistic correction potentials which are used for studying the series of neutral rare gas atoms. Our approach opens the way for accurate two-component calculations for molecules.
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Handbook of Mathematical Functions
McQuarrie, D. A. (1966) · American Journal of Physics · doi:10.1119/1.1972842 · Cited by 40,433
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A Simple Approach for Predicting the Spin State of Homoleptic Fe(II) Tris-diimine Complexes
Phan, H., Hrudka, J. J., Igimbayeva, D., Lawson Daku, L. M., & Shatruk, M. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.7b02098 · Cited by 111
Metadata
- Authors
- Chang, C., Pelissier, M., & Durand, P.
- Venue
- Physica Scripta
- Publisher
- IOP Publishing
- Published
- 1986-11-01
- Volume
- 34
- Issue
- 5
- Pages
- 394-404
- ISSN
- 0031-8949 (ISSN-L)
- 1402-4896
- OpenAlex
- W2050889869
- Cited by
- 742
- References
- 1
- FWCI
- 1.17
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Chang, C., Pelissier, M., & Durand, P. (1986). Regular Two-Component Pauli-Like Effective Hamiltonians in Dirac Theory. Physica Scripta. https://doi.org/10.1088/0031-8949/34/5/007
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