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![Employing the DMRG and DMRG-in-DFT methods with the cc-pVDZ basis set on the propionitrile molecule, calculations of absolute and relative energies-expressed in Hartrees-demonstrate that incorporating the PDFT functional for nonadditive exchange-correlation energy within the DMRG-in-DFT framework offers a distinct approach compared to utilizing the PBE functional, as detailed in [latex]Eq. (53)[/latex].](https://arxiv.org/html/2603.05303v1/2603.05303v1/x6.png)