Calculation of single-beam two-photon absorption transition rate of rare-earth ions using effective operator and diagrammatic representation

Effective operators needed in single-beam two-photon transition calculations have been represented with modified Goldstone diagrams similar to the type suggested by Duan and co-workers [J. Chem. Phys. 121, 5071 (2004) ]. The rules to evaluate these diagrams are different from those for effective Hamiltonian and one-photon transition operators. It is verified that the perturbation terms considered contain only connected diagrams and the evaluation rules are simplified and given explicitly.Comment: 10 preprint pages, to appear in Journal of Alloys and Compound

General calculation of 4f−5d4f-5d transition rates for rare-earth ions using many-body perturbation theory

The $4f-5d$ transition rates for rare-earth ions in crystals can be calculated with an effective transition operator acting between model $4f^N$ and $4f^{N-1}5d$ states calculated with effective Hamiltonian, such as semi-empirical crystal Hamiltonian. The difference of the effective transition operator from the original transition operator is the corrections due to mixing in transition initial and final states of excited configurations from both the center ion and the ligand ions. These corrections are calculated using many-body perturbation theory. For free ions, there are important one-body and two-body corrections. The one-body correction is proportional to the original electric dipole operator with magnitude of approximately 40% of the uncorrected electric dipole moment. Its effect is equivalent to scaling down the radial integral \ME {5d} r {4f}, to about 60% of the uncorrected HF value. The two-body correction has magnitude of approximately 25% relative to the uncorrected electric dipole moment. For ions in crystals, there is an additional one-body correction due to ligand polarization, whose magnitude is shown to be about 10% of the uncorrected electric dipole moment.Comment: 10 pages, 1 figur

A Configuration Model with Triadic Closure

In this paper we present a configuration model with random triadic closure. This model possesses five fundamental properties: large transitivity, power law degree distributions, short path lengths, non-zero Pearson degree correlation, and the existence of community structures. We analytically derive the Pearson degree correlation and the clustering coefficient of the proposed model. By simulation we also test three well-known community detection algorithms on our model as well as other two benchmark models that are the LFR model and the ABCD model