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.
K.; Luo, S.; Ma, D.; Olsen, J.; Truhlar, D
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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.