PASPT2 is a linearized multi-reference perturbation theory that achieves strict size-extensivity and size-consistency for strongly correlated electrons by using a reference-specific zeroth-order Hamiltonian to eliminate disconnected terms.
Multiconfiguration perturbation theory with imaginary level shift
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Spin-free RIC-MRCCSD implementation in ORCA runs at costs between RHF-CCSD and UHF-CCSD for CAS(14,14) spaces and scales to an 809-orbital vitamin B12 model without needing RDMs beyond three-body.
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PASPT2: a size-extensive and size-consistent partial-active-space multi-state multi-reference second-order perturbation theory for strongly correlated electrons
PASPT2 is a linearized multi-reference perturbation theory that achieves strict size-extensivity and size-consistency for strongly correlated electrons by using a reference-specific zeroth-order Hamiltonian to eliminate disconnected terms.
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Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
Spin-free RIC-MRCCSD implementation in ORCA runs at costs between RHF-CCSD and UHF-CCSD for CAS(14,14) spaces and scales to an 809-orbital vitamin B12 model without needing RDMs beyond three-body.