It is shown both theoretically and numerically that the minimal multireference configuration
interaction (CI) approach [Liu, W.; Hoffmann, MR Theor. Chem. Acc. 2014, 133, 1481] …

The single-reference (SR) coupled-cluster (CC) approaches proved to be remarkably
efficient in handling the dynamic correlation and continue to be widely exploited in quantum …

We investigate the renormalized perturbative triples correction together with the externally
corrected coupled-cluster singles and doubles (ecCCSD) method. We use the density matrix …

The short answer to the question in the title is “no”. We identify classes of truncated
configuration interaction (CI) wave functions for which the externally corrected coupled …

Introducing an active space approximation is inevitable for the quantum computations of
chemical systems. However, this approximation ignores the electron correlations related to …

An externally corrected coupled cluster (CC) method, where an adaptive configuration
interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is …

When the number of strongly correlated electrons becomes larger, the single-reference
coupled-cluster (CC) CCSD, CCSDT, etc. hierarchy displays an erratic behaviour, while …

We use selected configuration interaction with truncation energy error (SCI-TEE) and CI by
parts (CIBP) to study the symmetric dissociation of the water molecule with Roos' triple-ζ …

The cluster structure of the singlet full symmetric component of the unrestricted Hartree‐Fock
(UHF)‐based CCSD wave function describing the triple bond breaking in the nitrogen …

Developments in quantum chemistry are closely related to the rise of modern computational
technologies. Application ofquantum chemistry methods to ever larger molecular systems …