Abstract
ABSTRACTThe coupled-cluster (CC) method is one of the most efficient approaches to describe electron correlation effects in atoms and molecules. The method can be related to other earlier and more conventional methods for an approximate evaluation of the correlation energy like perturbation theory or configuration interaction method. The relations are usually used to suggest possible ways of solving the CC equations. The most popular iterative schemes for obtaining the cluster amplitudes are based on perturbative Jacobi-type procedures but also other algorithms are known from the literature. All of them are characterised by different convergence properties. In the paper, we try to study the efficiency of the basic iterative schemes used in the CC calculations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
