Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for the correlation problem in molecules. Furthermore, the correct scaling of the energy and wavefunction with size (i.e. extensivity) recommends it for studies of polymers and crystals as well as molecules. CC methods have also paid dividends for nuclei, and for certain strongly correlated systems of interest in field theory.In order for CC methods to have achieved this distinction, it has been necessary to formulate new, theoretical approaches for the treatment of a variety of essential quantitie
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for d...
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuatio...
Calculating the electronic structure of molecules and solids has become an important pillar of moder...
Nowdays, coupled cluster method belongs to one of the most used quantum chemical methods. However, t...
Accurate energetic modeling of large molecular systems is always desired by chemists. For example, l...
Nowdays, coupled cluster method belongs to one of the most used quantum chemical methods. However, t...
© 2015 AIP Publishing LLC. Coupled-cluster (CC) theory has become the de facto standard for high-acc...
A general-order local coupled-cluster (CC) method is presented which has the potential to provide ac...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
In the past decade, the quantum chemical version of the density matrix renormalization group (DMRG) ...
Calculating the electronic structure of molecules and solids has become an important pillar of moder...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Methods which aim at universal applicability must be able to describe both weak and strong electroni...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for d...
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuatio...
Calculating the electronic structure of molecules and solids has become an important pillar of moder...
Nowdays, coupled cluster method belongs to one of the most used quantum chemical methods. However, t...
Accurate energetic modeling of large molecular systems is always desired by chemists. For example, l...
Nowdays, coupled cluster method belongs to one of the most used quantum chemical methods. However, t...
© 2015 AIP Publishing LLC. Coupled-cluster (CC) theory has become the de facto standard for high-acc...
A general-order local coupled-cluster (CC) method is presented which has the potential to provide ac...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
In the past decade, the quantum chemical version of the density matrix renormalization group (DMRG) ...
Calculating the electronic structure of molecules and solids has become an important pillar of moder...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Methods which aim at universal applicability must be able to describe both weak and strong electroni...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for d...
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuatio...
Calculating the electronic structure of molecules and solids has become an important pillar of moder...