Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory
arXiv:2109.00383 · doi:10.1016/bs.aiq.2021.05.009
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.
35 pages, 1 figure