Multireference Nature of Chemistry: The Coupled-Cluster View | Chemical Reviews ACS ACS
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The multireference problem is considered one of the great challenges in coupled‐cluster
(CC) theory. Most recent developments are based on state‐specific approaches, which …

A state-specific partially internally contracted multireference coupled cluster approach is
presented for general complete active spaces with arbitrary number of active electrons. The …

We report a spin-free formulation of the multireference (MR) driven similarity renormalization
group (DSRG) based on the ensemble normal ordering of Mukherjee and Kutzelnigg [J …

The state specific equation of motion coupled cluster (SS-EOMCC) method is an internally
contracted multireference approach, applicable to both ground and excited states. Attractive …

We present a novel framework for spin-adapted coupled cluster theory. The approach
exploits the entanglement of an open-shell molecule with electrons in a non-interacting bath …

We present in this paper a comprehensive formulation of a spin-adapted size-extensive
state-specific multi-reference second-order perturbation theory (SA-SSMRPT2) as a tool for …

In this paper, we present a comprehensive account of an explicitly spin-free compact state-
universal multireference coupled cluster (CC) formalism for computing the state energies of …

Exact two-component (X2C) coupled-cluster calculations of electronic g-factors for heavy-
atom-containing small molecules pertinent to search of new physics beyond the standard …

In this paper, we develop a rigorously spin-adapted version of Mukherjee's state-specific
multireference coupled cluster theory (SS-MRCC, also known as Mk-MRCC)[US Mahapatra …