A Hybrid Meta On-Top Functional for Multiconfiguration Pair-Density Functional Theory

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1. 1MC25: An Accurate Meta Pair-Density Functional for Multiconfiguration Pair-Density Functional Theory and Linearized Pair-Density Functional Theory2025
2. 2MC-PDFT Nuclear Gradients and L-PDFT Energies with Meta and Hybrid Meta On-Top Functionals for Ground- and Excited-State Geometry Optimization and Vertical Excitation Energies2025 · 8 citations
3. 3The Use of Effective Core Potentials with Multiconfiguration Pair-Density Functional Theory2024 · 12 citations
4. 4Insights Into Density Functional Performance From a Main-Group and Transition-Metal Molecular Benchmark.2026
5. 5Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics2004 · 434 citations