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Publikováno v:
Structural Dynamics, Vol 3, Iss 6, Pp 062601-062601-11 (2016)
The Frenkel exciton model was adapted to describe X-ray absorption and resonant inelastic scattering spectra of polynuclear transition metal complexes by means of the restricted active space self-consistent field method. The proposed approach allo
Externí odkaz:
https://doaj.org/article/3bfd6935e3534cd39b6c168d0c30e89c