We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product of optimized cluster states. The cluster language and the mean-field nature of the ansatz allows for a straightforward improvement which uses perturbation theory and coupled-cluster to account for inter-cluster correlations. We present benchmark calculations on the 1D chain and 2D square $J_1-J_2$ Heisenberg model, using cluster mean-field, perturbation theory and coupled-cluster. We also present an extrapolation scheme that allows us to compute thermodynamic limit energies accurately. Our ...
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly co...
In this thesis, quantum cluster methods are used to calculate electronic properties of correlated-el...
Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these ...
We introduce a mean-field and a perturbative approach, based on clusters, to describe the ground sta...
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
This thesis describes the application of coupled-cluster theory to model systems of metallic solids ...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak corre...
Methods which aim at universal applicability must be able to describe both weak and strong electroni...
© 2019 American Physical Society. Background: While coupled-cluster theory accurately models weakly ...
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals a...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly co...
In this thesis, quantum cluster methods are used to calculate electronic properties of correlated-el...
Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these ...
We introduce a mean-field and a perturbative approach, based on clusters, to describe the ground sta...
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
This thesis describes the application of coupled-cluster theory to model systems of metallic solids ...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
In electronic structure theory, restricted single-reference coupled cluster (CC) captures weak corre...
Methods which aim at universal applicability must be able to describe both weak and strong electroni...
© 2019 American Physical Society. Background: While coupled-cluster theory accurately models weakly ...
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals a...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
International audienceBackground: While coupled-cluster theory accurately models weakly correlated q...
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly co...
In this thesis, quantum cluster methods are used to calculate electronic properties of correlated-el...
Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these ...