Physics – Atomic Physics
Scientific paper
2004-10-07
J. Phys. B: At. Mol. Opt. Phys. 37 (2004) 4309-4321.
Physics
Atomic Physics
15 pages, 6 figures, to be published in J. Phys. B
Scientific paper
10.1088/0953-4075/37/21/007
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.
Hamamoto Naohide
Satoko C.
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