Some of the cluster extensions of the coherent potential approximation (CPA) based on the effective medium theory have been critically studied with respect to the decoupling schemes involved in them. Their computational tractability has been examined and it has been found that the self-consistent calculations in three-dimensional systems are immensely difficult to perform. A self-consistent calculation has been reported for simple cubic lattices with diagonal and off-diagonal disorder using a pair-CPA method. A significant finding of the paper is that it has been shown that non-analyticities are a general feature of extensions of CPA within multiple scattering framework. The non-analyticities were reported several times but a general proof ...
The limitations of the current 'first-principles' effective medium approach to calculating the elect...
The coherent potential approximation (CPA) is a useful tool to describe the electron correlations as...
First-principles methods based on Density functional theory (DFT) are now adopted routinely to calcu...
Some of the cluster extensions of the coherent potential approximation (CPA) based on the effective ...
On décrit une approximation permettant de calculer simplement la diffusion produite par un amas comp...
Journal ArticleWe present an accurate and economical iterative method of calculating the energy leve...
Over the last few years the Non-Local Coherent Potential Approximation (NL-CPA) has been shown to pr...
We introduce the Korringa-Kohn-Rostocker nonlocal coherent-potential approximation (KKR-NLCPA) for d...
We present an ab initio formalism for the calculation of transport properties in compositionally dis...
A simple method is proposed for applying the self-consistent boundary site approximation (SCBSA) in ...
The density of states of an electron in a binary alloy in the tight binding model is calculated in t...
Self-consistent 'band theory', based on density functional theory, is a useful approach to describin...
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered...
The dynamical cluster approximation (DCA) is modified to include disorder. The DCA incorporates nonl...
On décrit deux généralisations de l'approximation du potentiel cohérent (CPA). L'une est obtenue à l...
The limitations of the current 'first-principles' effective medium approach to calculating the elect...
The coherent potential approximation (CPA) is a useful tool to describe the electron correlations as...
First-principles methods based on Density functional theory (DFT) are now adopted routinely to calcu...
Some of the cluster extensions of the coherent potential approximation (CPA) based on the effective ...
On décrit une approximation permettant de calculer simplement la diffusion produite par un amas comp...
Journal ArticleWe present an accurate and economical iterative method of calculating the energy leve...
Over the last few years the Non-Local Coherent Potential Approximation (NL-CPA) has been shown to pr...
We introduce the Korringa-Kohn-Rostocker nonlocal coherent-potential approximation (KKR-NLCPA) for d...
We present an ab initio formalism for the calculation of transport properties in compositionally dis...
A simple method is proposed for applying the self-consistent boundary site approximation (SCBSA) in ...
The density of states of an electron in a binary alloy in the tight binding model is calculated in t...
Self-consistent 'band theory', based on density functional theory, is a useful approach to describin...
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered...
The dynamical cluster approximation (DCA) is modified to include disorder. The DCA incorporates nonl...
On décrit deux généralisations de l'approximation du potentiel cohérent (CPA). L'une est obtenue à l...
The limitations of the current 'first-principles' effective medium approach to calculating the elect...
The coherent potential approximation (CPA) is a useful tool to describe the electron correlations as...
First-principles methods based on Density functional theory (DFT) are now adopted routinely to calcu...