Today, coupled-cluster theory offers the most accurate results among the practical ab initio
electronic-structure theories applicable to moderate-sized molecules. Though it was …

We review coupled cluster (CC) theory for electronically excited states. We outline the basics
of a CC response theory framework that allows the transfer of the attractive accuracy and …

An up-to-date overview of the CFOUR program system is given. After providing a brief
outline of the evolution of the program since its inception in 1989, a comprehensive …

The latest release of NWChem delivers an open-source computational chemistry package
with extensive capabilities for large scale simulations of chemical and biological systems …

Recent advances in quantum computing devices have brought attention to hybrid quantum-
classical algorithms like the variational quantum eigensolver (VQE) as a potential route to …

In an attempt to improve on our earlier W3 theory [AD Boese et al, J. Chem. Phys. 120, 4129
(2004)] we consider such refinements as more accurate estimates for the contribution of …

A new method is presented for treating the effects of quadruple excitations in coupled-cluster
theory. In the approach, quadruple excitation contributions are computed from a formula …

The possibilities for the approximate treatment of higher excitations in coupled-cluster (CC)
theory are discussed. Potential routes for the generalization of corresponding …

Completely renormalized (CR) coupled-cluster (CC) approaches, such as CR-CCSD (T), in
which one corrects the standard CC singles and doubles (CCSD) energy for the effects of …

Using string-based algorithms excitation energies and analytic first derivatives for excited
states have been implemented for general coupled-cluster CC models within CC linear …