Coupled-cluster techniques for computational chemistry: The CFOUR program package

DA Matthews, L Cheng, ME Harding… - The Journal of …, 2020 - pubs.aip.org
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
presentation is given of its well-known capabilities for high-level coupled-cluster theory and
its application to molecular properties. Subsequent to this generally well-known background
information, much of the remaining content focuses on lesser-known capabilities of CFOUR,
most of which have become available to the public only recently or will become available in …