Perspective benchmarks show MC-srPDFT most accurate among DFT-based dynamic correlation methods but all fail on transition-metal spin energetics, while linearized AC0 rivals or beats second-order perturbation theory.
iCISCF: An Iterative Configuration Interaction-Based Multiconfigurational Self-Consistent Field Theory for Large Active Spaces.J
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Dynamic electron correlation energy for multireference wavefunction methods from one- and two-electron reduced density matrices
Perspective benchmarks show MC-srPDFT most accurate among DFT-based dynamic correlation methods but all fail on transition-metal spin energetics, while linearized AC0 rivals or beats second-order perturbation theory.