In this paper we propose and numerically implement a specific scheme for calculating the excitation energies (EEs) within the Fock space multireference coupled cluster framework, which includes the contributions from noniterative triples cluster amplitudes. These contribute to the EEs at the third order. We present results for CH+ and N2, and study the effects of these noniterative triples on EEs
<div>The role of connected triple excitations in coupled cluster CC calculations of vertical excitat...
An overview is given on the implementation of CC3 singlet and triplet excitation energies having at ...
<p>A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on ...
The contributions from various excitation levels to excitation energies calculated within a coupled ...
We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster t...
In this paper we present Z-vector formalism for the Fock space multireference coupled cluster framew...
The cluster perturbation series, CPS(D), for coupled cluster singles and doubles excitation energies...
In this article, we present a black-box approach for the selection of orbital spaces when computing ...
The technique of Fock space multireference coupled-cluster (FSMRCC) is applied for the first time to...
The theory and implementation of approximate coupled-cluster (CC), in particular approximate CC sing...
The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the...
Algorithms for calculating singlet excitation energies in the coupled cluster singles and doubles (C...
The multireference (MR) generalization of coupled cluster (CC) theory aims to describe both the stat...
The derivation of response functions for coupled cluster models is discussed in a context where appr...
International audienceA central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC)...
<div>The role of connected triple excitations in coupled cluster CC calculations of vertical excitat...
An overview is given on the implementation of CC3 singlet and triplet excitation energies having at ...
<p>A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on ...
The contributions from various excitation levels to excitation energies calculated within a coupled ...
We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster t...
In this paper we present Z-vector formalism for the Fock space multireference coupled cluster framew...
The cluster perturbation series, CPS(D), for coupled cluster singles and doubles excitation energies...
In this article, we present a black-box approach for the selection of orbital spaces when computing ...
The technique of Fock space multireference coupled-cluster (FSMRCC) is applied for the first time to...
The theory and implementation of approximate coupled-cluster (CC), in particular approximate CC sing...
The Fock space multireference coupled cluster (FSMRCC) method provides an efficient approach for the...
Algorithms for calculating singlet excitation energies in the coupled cluster singles and doubles (C...
The multireference (MR) generalization of coupled cluster (CC) theory aims to describe both the stat...
The derivation of response functions for coupled cluster models is discussed in a context where appr...
International audienceA central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC)...
<div>The role of connected triple excitations in coupled cluster CC calculations of vertical excitat...
An overview is given on the implementation of CC3 singlet and triplet excitation energies having at ...
<p>A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on ...