Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory
Chemical Physics
2021-11-15 v1
Abstract
We review the methods based on expectation value coupled cluster formalism - a common framework for the derivation of properties: the ground-state average value of an observable, cumulants of the second-order reduced density matrices, polarization propagator, quadratic response function, and transition probabilities. We discuss the approximations and give examples of the most important numerical results.
Keywords
Cite
@article{arxiv.2109.00383,
title = {Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory},
author = {Aleksandra M. Tucholska and Robert Moszynski},
journal= {arXiv preprint arXiv:2109.00383},
year = {2021}
}
Comments
35 pages, 1 figure