The equation-of-motion coupled-cluster (EOM-CC) approach is a versatile electronic-
structure tool that allows one to describe a variety of multiconfigurational wave functions …

In this paper we study the following aspects of the open-shell coupled-cluster (CC)
theories:(a) we examine the current theoretical status regarding the existence or non …

The theory for analytic energy derivatives of excited electronic states described by the
equation‐of‐motion coupled cluster (EOM‐CC) method has been generalized to treat cases …

A new approach to the bond-breaking problem is proposed. Both closed and open shell
singlet states are described within a single reference formalism as spin-flip**, eg, α→ β …

In this paper we present a comprehensive account of a manifestly size-consistent coupled
cluster formalism for a specific state, which is based on a reference function composed of …

Implementation of Dyson orbitals for coupled-cluster and equation-of-motion coupled-cluster
wave functions with single and double substitutions is described and demonstrated by …

The Fock space coupled cluster method and its application to atomic and molecular systems
are described. The importance of conserving size extensivity is demonstrated by the electron …

We report total and differential cross sections for photodetachment from negative ions using
Dyson orbitals calculated from equation-of-motion coupled-cluster wave functions and free …

We present in this paper a state-specific coupled cluster method based on a reference
function composed of determinants spanning a complete active space (CAS). The method …

A multireference coupled‐cluster (MRCC) formulation for the direct calculation of excitation
energies and ionization potentials is presented. The reference space connects a set of p–h …