dorsal/arxiv
View SchemaAnalysis of OPM potentials for multiplet states of 3d transition metal atoms
| Authors | N. Hamamoto, C. Satoko |
|---|---|
| Categories | |
| ArXiv ID | physics/0410043 |
| URL | https://arxiv.org/abs/physics/0410043 |
| DOI | 10.1088/0953-4075/37/21/007 |
| Journal | J. Phys. B: At. Mol. Opt. Phys. 37 (2004) 4309-4321. |
Abstract
We apply the optimized effective potential method (OPM) to the multiplet energies of the 3d$^n$ transition metal atoms, where the orbital dependence of the energy functional with respect to orbital wave function is the single-configuration HF form. We find that the calculated OPM exchange potential can be represented by the following two forms. Firstly, the difference between OPM exchange potentials of the multiplet states can be approximated by the linear combination of the potentials derived from the Slater integrals $F^2({\rm 3d,3d})$ and $F^4({\rm 3d,3d})$ for the average energy of the configuration. Secondly, the OPM exchange potential can be expressed as the linear combination of the OPM exchange potentials of the single determinants.
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"abstract": "We apply the optimized effective potential method (OPM) to the multiplet\nenergies of the 3d$^n$ transition metal atoms, where the orbital dependence of\nthe energy functional with respect to orbital wave function is the\nsingle-configuration HF form. We find that the calculated OPM exchange\npotential can be represented by the following two forms. Firstly, the\ndifference between OPM exchange potentials of the multiplet states can be\napproximated by the linear combination of the potentials derived from the\nSlater integrals $F^2({\\rm 3d,3d})$ and $F^4({\\rm 3d,3d})$ for the average\nenergy of the configuration. Secondly, the OPM exchange potential can be\nexpressed as the linear combination of the OPM exchange potentials of the\nsingle determinants.",
"arxiv_id": "physics/0410043",
"authors": [
"N. Hamamoto",
"C. Satoko"
],
"categories": [
"physics.atom-ph",
"cond-mat.mtrl-sci",
"physics.chem-ph"
],
"doi": "10.1088/0953-4075/37/21/007",
"journal_ref": "J. Phys. B: At. Mol. Opt. Phys. 37 (2004) 4309-4321.",
"title": "Analysis of OPM potentials for multiplet states of 3d transition metal atoms",
"url": "https://arxiv.org/abs/physics/0410043"
},
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