There is increasing interest in many-body perturbation theory as a practical tool for the calculation of ground-state properties. As a consequence, unambiguous sum rules such as the conservation of particle number under the influence of the Coulomb interaction have acquired an importance that did not exist for calculations of excited-state properties. In this paper we obtain a rigorous, simple relation whose fulfilment guarantees particle-number conservation in a given diagrammatic self-energy approximation. Hedin's G(0)W(0) approximation does not satisfy this relation and hence violates the particle-number sum rule. Very precise calculations for the homogeneous electron gas and a model inhomogeneous electron system allow the extent of the ...
Familiar necessary conditions for the saturation of many-body binding energies are reconsidered in o...
[Abstract.] We present a diagrammatic approach to construct self-energy approximations within many-b...
In order to increase the predictive pmver of electronic structure calculations on atomic and condens...
We consider a general class of approximations which guarantees the conservation of particle number i...
The performance of many-body perturbation theory for calculating ground-state properties is investig...
We propose a new method for calculating total energies of systems of interacting electrons, which re...
With the aim of identifying universal trends, we compare fully self-consistent electronic spectra an...
We present a general procedure for obtaining progressively more accurate functional expressions for ...
We have calculated the self-consistent Green's function for a number of atoms and diatomic molecules...
Atomic hydrogen provides a unique test case for computational electronic structure methods, since it...
GW calculations with a fully self-consistent Green’s function G and screened interaction W—based on ...
A thorough analytical and numerical characterization of the whole perturbation series of one-particl...
n a previous paper (see abstr. A76748 of 1974) the expansion of the irreducible self-energy of an el...
Within many-body perturbation theory, we apply vertex corrections to various closed-shell atoms and ...
Density-functional theory is a powerful method to calculate total energies of large systems of inter...
Familiar necessary conditions for the saturation of many-body binding energies are reconsidered in o...
[Abstract.] We present a diagrammatic approach to construct self-energy approximations within many-b...
In order to increase the predictive pmver of electronic structure calculations on atomic and condens...
We consider a general class of approximations which guarantees the conservation of particle number i...
The performance of many-body perturbation theory for calculating ground-state properties is investig...
We propose a new method for calculating total energies of systems of interacting electrons, which re...
With the aim of identifying universal trends, we compare fully self-consistent electronic spectra an...
We present a general procedure for obtaining progressively more accurate functional expressions for ...
We have calculated the self-consistent Green's function for a number of atoms and diatomic molecules...
Atomic hydrogen provides a unique test case for computational electronic structure methods, since it...
GW calculations with a fully self-consistent Green’s function G and screened interaction W—based on ...
A thorough analytical and numerical characterization of the whole perturbation series of one-particl...
n a previous paper (see abstr. A76748 of 1974) the expansion of the irreducible self-energy of an el...
Within many-body perturbation theory, we apply vertex corrections to various closed-shell atoms and ...
Density-functional theory is a powerful method to calculate total energies of large systems of inter...
Familiar necessary conditions for the saturation of many-body binding energies are reconsidered in o...
[Abstract.] We present a diagrammatic approach to construct self-energy approximations within many-b...
In order to increase the predictive pmver of electronic structure calculations on atomic and condens...