dorsal/arxiv
View SchemaGeneralized RECPs accounting for Breit effects: uranium, plutonium and superheavy elements 112, 113, 114
| Authors | N. S. Mosyagin, A. N. Petrov, A. V. Titov, I. I. Tupitsyn |
|---|---|
| Categories | |
| ArXiv ID | physics/0505207 |
| URL | https://arxiv.org/abs/physics/0505207 |
Abstract
The Generalized Relativistic Effective Core Potential (GRECP) method is described which allows one to simulate Breit interaction and finite nuclear models by an economic way and with high accuracy. The corresponding GRECPs for the uranium, plutonium, eka-mercury (E112), eka-thallium (E113) and eka-lead (E114) atoms are generated. The accuracy of these GRECPs and of the RECPs of other groups is estimated in atomic numerical SCF calculations with Coulomb two-electron interactions and point nucleus as compared to the corresponding all-electron Hartree-Fock-Dirac-Breit calculations with the Fermi nuclear charge distribution. Different nuclear models and contributions of the Breit interaction between different shells are studied employing all-electron four-component methods.
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"date_created": "2026-03-02T18:01:00.583000Z",
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"abstract": "The Generalized Relativistic Effective Core Potential (GRECP) method is\ndescribed which allows one to simulate Breit interaction and finite nuclear\nmodels by an economic way and with high accuracy. The corresponding GRECPs for\nthe uranium, plutonium, eka-mercury (E112), eka-thallium (E113) and eka-lead\n(E114) atoms are generated. The accuracy of these GRECPs and of the RECPs of\nother groups is estimated in atomic numerical SCF calculations with Coulomb\ntwo-electron interactions and point nucleus as compared to the corresponding\nall-electron Hartree-Fock-Dirac-Breit calculations with the Fermi nuclear\ncharge distribution. Different nuclear models and contributions of the Breit\ninteraction between different shells are studied employing all-electron\nfour-component methods.",
"arxiv_id": "physics/0505207",
"authors": [
"N. S. Mosyagin",
"A. N. Petrov",
"A. V. Titov",
"I. I. Tupitsyn"
],
"categories": [
"physics.chem-ph",
"physics.comp-ph"
],
"title": "Generalized RECPs accounting for Breit effects: uranium, plutonium and superheavy elements 112, 113, 114",
"url": "https://arxiv.org/abs/physics/0505207"
},
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