Pilot numerical applications are reported of two recently formulated cluster expansion formalisms that generate connected effective Hamiltonians even for incomplete model spaces. Results are presented for prototype systems such as (a) the He atom, (b) the H2 molecule and (c) the He22+ ion. For He and H2 we give results for typical examples of incomplete model spaces, and for He22+ we present adiabatic potential energy curves the first four 1Σg+ and the first two 3Σg+states, calculated with an incomplete model space
The first ab initio molecular applications of our open-shell coupled cluster (CC) method for direct ...
The determination of ground state structures and other properties of clusters and molecules is an im...
We present in this paper a size-extensive formulation of a valence universal multi-reference coupled...
In this paper, a method of generating separable forms of the wave-operator for incomplete model spac...
An open-shell coupled cluster (CC) theory is developed using an incomplete model space (IMS) that wo...
We generalize here the formalism of the preceeding paper to encompass the case of the general incomp...
In this paper, we report the first numerical applications of the size-extensive quasi-Hilbert- and q...
We present a size-extensive and size-consistent state-specific multi-reference coupled-cluster appro...
Our recent open-shell coupled-cluster (CC) theory for incomplete model spaces, having valence holes ...
In this paper we present a non-perturbative approach to the calculation of correlation energies of o...
The linked cluster method is one of the most ecient ways to generate per-turbation series expansions...
We develop and apply in this paper a coupled cluster (CC)-based intermediate hamiltonian method that...
Momentum-space approach to calculation of one-electron energies and wave functions proposed initiall...
49 pages, 23 figuresInternational audienceA central problem in many-body quantum physics is the dete...
AbstractA central problem in many-body quantum physics is the determination of the ground state of a...
The first ab initio molecular applications of our open-shell coupled cluster (CC) method for direct ...
The determination of ground state structures and other properties of clusters and molecules is an im...
We present in this paper a size-extensive formulation of a valence universal multi-reference coupled...
In this paper, a method of generating separable forms of the wave-operator for incomplete model spac...
An open-shell coupled cluster (CC) theory is developed using an incomplete model space (IMS) that wo...
We generalize here the formalism of the preceeding paper to encompass the case of the general incomp...
In this paper, we report the first numerical applications of the size-extensive quasi-Hilbert- and q...
We present a size-extensive and size-consistent state-specific multi-reference coupled-cluster appro...
Our recent open-shell coupled-cluster (CC) theory for incomplete model spaces, having valence holes ...
In this paper we present a non-perturbative approach to the calculation of correlation energies of o...
The linked cluster method is one of the most ecient ways to generate per-turbation series expansions...
We develop and apply in this paper a coupled cluster (CC)-based intermediate hamiltonian method that...
Momentum-space approach to calculation of one-electron energies and wave functions proposed initiall...
49 pages, 23 figuresInternational audienceA central problem in many-body quantum physics is the dete...
AbstractA central problem in many-body quantum physics is the determination of the ground state of a...
The first ab initio molecular applications of our open-shell coupled cluster (CC) method for direct ...
The determination of ground state structures and other properties of clusters and molecules is an im...
We present in this paper a size-extensive formulation of a valence universal multi-reference coupled...