Molecular properties from the explicitly connected expressions of the response functions within the coupled-cluster theory

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.

arXiv comment35 pages, 1 figure

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Cited by in corpus (1)

• Spin-orbit coupling matrix elements from the explicitly connected expressions of the response functions within the coupled-cluster theory