Abstract
Spectral properties related to the low-energy d–d excitations in nearly cubic vanadium perovskites are examined for the expected L-edge resonant inelastic X-ray scattering (RIXS) measurements. Multiplet structure of V 3+ ion in the basic [Formula: see text] electron configuration is calculated with the help of ab initio quantum-chemical method applied to VO 6 cluster embedded in a crystalline environment. In the intermediate states of the RIXS process the induced 2p-core hole is taken into account by including strong 2p–3d electron interactions. A symmetry-group approach is applied to generate the basis set of many-electron wavefunctions of the intermediate core-hole states accessible in RIXS processes. Although a comprehensive description of the core-hole multiplets still remains a formidable task and requires using specially designed numerical codes, for particular resonant states the analysis is simplified and the calculation of RIXS amplitude can be carried out analytically to the end.
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