The DOI matches its Crossref record; 16 of the 16 references it cites were found in a registry or an index.
Diagonalisation of the Dirac Hamiltonian as a basis for a relativistic many-body procedure
Open accessAbstract
A diagonalisation procedure of the Foldy-Wouthuysen type is considered for the single-electron Dirac Hamiltonian as a basis for many-body applications. A modified procedure is suggested. In the diagonalisation procedure the Dirac equation is completely decoupled into two equations of the Pauli type. The expressions for positive- and negative-energy projection operators in the transformed basis are then trivial and, by performing the inverse transformation, projection operators for Dirac functions are obtained. Applying a similar transformation to the two-electron Dirac-Coulomb Hamiltonian leads to a diagonalised single-electron part and a non-diagonal two-electron interaction. In principle, the effect of the exchange of virtual, transverse photons (Breit interactions) can also be included in the electron-electron interaction and transformed in a similar way. It is indicated how a diagonalisation procedure of this kind can be used as a basis for relativistic many-body calculations in the coupled cluster formulation in analogy with the corresponding non-relativistic procedure.
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Cites
Quantum Mechanics of One- and Two-Electron Systems
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On the Dirac Theory of Spin 1/2 Particles and Its Non-Relativistic Limit
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A multiconfiguration relativistic DIRAC-FOCK program
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Approximate relativistic corrections to atomic radial wave functions*
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On the interaction of two electrons
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Relativistic total energy using regular approximations
van Lenthe, E., Baerends, E. J., & Snijders, J. G. (1994) · The Journal of Chemical Physics · doi:10.1063/1.467943 · Cited by 3,329
van Lenthe, E., Snijders, J. G., & Baerends, E. J. (1996) · The Journal of Chemical Physics · doi:10.1063/1.472460 · Cited by 1,754
Relativistic Hamiltonians for Chemistry: A Primer
Saue, T. (2011) · ChemPhysChem · doi:10.1002/cphc.201100682 · Cited by 512
Ideas of relativistic quantum chemistry
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Metadata
- Authors
- Heully, J. L., Lindgren, I., Lindroth, E., Lundqvist, S., & Martensson-Pendrill, A. M.
- Venue
- Journal of Physics B: Atomic and Molecular Physics
- Publisher
- IOP Publishing
- Published
- 1986-09-28
- Volume
- 19
- Issue
- 18
- Pages
- 2799-2815
- ISSN
- 0022-3700 (ISSN-L)
- OpenAlex
- W1966938238
- Cited by
- 416
- References
- 16
- FWCI
- 2.81
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Heully, J. L., Lindgren, I., Lindroth, E., Lundqvist, S., & Martensson-Pendrill, A. M. (1986). Diagonalisation of the Dirac Hamiltonian as a basis for a relativistic many-body procedure. Journal of Physics B: Atomic and Molecular Physics. https://doi.org/10.1088/0022-3700/19/18/011
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
