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Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies
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SYSNO 0521856 Title Scaling exchange and correlation in the on-top density functional of multiconfiguration pair-density functional theory: effect on electronic excitation energies and bond energies Author(s) Presti, D. (US)
Kadlec, Jan (UOCHB-X) [630/63] ORCID
Truhlar, D. G. (US)
Gagliardi, L. (US)Corespondence/senior Truhlar, D. G. - Korespondující autor
Gagliardi, L. - Korespondující autorSource Title Theoretical Chemistry Accounts. Roč. 139, č. 2 (2020) Article number 30 Document Type Článek v odborném periodiku Institutional support UOCHB-X - RVO:61388963 Language eng Country DE Keywords excitation energies * bond energies * benchmark * MC-PDFT * pair-density * on-top pair-density functionals URL https://link.springer.com/article/10.1007/s00214-019-2539-6 Permanent Link http://hdl.handle.net/11104/0306408
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