In this paper it is shown that (i) there exists an alternative definition of the superoperator resolvent for calculation of difference energy satisfying linked cluster theorem for a coupled-cluster choice of the ground-state function which may even be approximate; (ii) the pole-structure of this propagator-like function in superoperator form is shown to contain information similar to that contained in the conventional propagator. (iii) It is demonstrated that suitable "Killer conditions" and completeness of the "operator manifold" -essential for understanding the pole-structure of the propagator-can be established both for an exact and an approximate ground state function in a coupled-cluster form. (iv) It is also demonstrated that differen...
International audienceA central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC)...
We show that it is possible to construct an accurate approximation to the variational coupled cluste...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
We develop in this paper a consistent superoperator-resolvent-based propagator theory using the exte...
In this paper we have discussed in detail the aspects of separability of the energy differences obta...
We introduce a response function formalism that enables smaller number of parameters than that defin...
We introduce a time-dependent coupled cluster based Lagrangian that includes orbital rotation. This ...
We present a general formalism where different levels of coupled cluster theory can be applied to di...
<p>A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on ...
We investigate how the coupled cluster method at the level of doubles and triples amplitudes contrib...
The derivation of coupled-cluster response theory for explicitly correlated wavefunctions with terms...
We have investigated the relative computational efficacies of the open-shell coupled-cluster (OSCC) ...
Electron–hole or quasiparticle representation plays a central role in describing electronic excitati...
A previous application [1] of linear response theory to the direct calculation of transition energie...
If the ground state wave-function Ψgr is written as Ψgr = Φo+X, with X as the correla...
International audienceA central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC)...
We show that it is possible to construct an accurate approximation to the variational coupled cluste...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
We develop in this paper a consistent superoperator-resolvent-based propagator theory using the exte...
In this paper we have discussed in detail the aspects of separability of the energy differences obta...
We introduce a response function formalism that enables smaller number of parameters than that defin...
We introduce a time-dependent coupled cluster based Lagrangian that includes orbital rotation. This ...
We present a general formalism where different levels of coupled cluster theory can be applied to di...
<p>A perturbative analysis of the ground-state similarity transformed Hamiltonian and its effect on ...
We investigate how the coupled cluster method at the level of doubles and triples amplitudes contrib...
The derivation of coupled-cluster response theory for explicitly correlated wavefunctions with terms...
We have investigated the relative computational efficacies of the open-shell coupled-cluster (OSCC) ...
Electron–hole or quasiparticle representation plays a central role in describing electronic excitati...
A previous application [1] of linear response theory to the direct calculation of transition energie...
If the ground state wave-function Ψgr is written as Ψgr = Φo+X, with X as the correla...
International audienceA central difficulty of state-specific Multi-Reference Coupled Cluster (MR-CC)...
We show that it is possible to construct an accurate approximation to the variational coupled cluste...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...