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

TL;DR

This paper reviews methods within coupled-cluster theory for calculating molecular properties, focusing on expectation value formalism, approximations, and numerical results for various response functions and observables.

Contribution

It provides a comprehensive overview of expectation value coupled cluster methods and discusses their approximations and key numerical results.

Findings

Effective framework for molecular property calculations

Comparison of different approximation schemes

Numerical results demonstrating method accuracy

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.