A current-density functional theory for superconductors in a magnetic field is developed. The formalism results in a set of self-consistent Kohn-Sham equations to be solved, in a second self-consistency loop, with Maxwell's equations for the vector potential.Une théorie par la fonctionnelle de la densité de courant est développée pour des supraconducteurs dans un champ magnétique. Le formalisme conduit à un ensemble d'équations de Kohn-Sham auto-cohérentes à résoudre, dans une seconde étape auto-cohérente, avec les équations de Maxwell pour le potentiel vecteur
The first application of current density functional theory (CDFT) to spontaneously magnetised solid...
We present a generalisation of the electron localisation function (ELF) to current-density-functiona...
Density functional method is applied for strongly correlated systems. Based on the assumption that t...
A current-density functional theory for superconductors in a magnetic field is developed. The formal...
An approach to the description of superconductors in thermal equilibrium is developed within a forma...
A density-functional formalism for superconductivity and magnetism is presented. The resulting relat...
This thesis contains four articles related to mathematical aspects of Density Functional Theory. In ...
This thesis is about current-density functional theory. Current plays a role in three important type...
Within density-functional theory we compute the orbital magnetization for periodic systems evaluatin...
The performance of several density-functional theory (DFT) methods for the calculation of current de...
Recent work has established Moreau–Yosida regularization as a mathematical tool to achieve rigorous ...
We study the total molecular electronic energy and its Kohn–Sham components within the framework of ...
The description of interacting many-electron systems in external magnetic fields is considered in th...
We present a novel implementation of Kohn-Sham density-functional theory utilizing London atomic orb...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
The first application of current density functional theory (CDFT) to spontaneously magnetised solid...
We present a generalisation of the electron localisation function (ELF) to current-density-functiona...
Density functional method is applied for strongly correlated systems. Based on the assumption that t...
A current-density functional theory for superconductors in a magnetic field is developed. The formal...
An approach to the description of superconductors in thermal equilibrium is developed within a forma...
A density-functional formalism for superconductivity and magnetism is presented. The resulting relat...
This thesis contains four articles related to mathematical aspects of Density Functional Theory. In ...
This thesis is about current-density functional theory. Current plays a role in three important type...
Within density-functional theory we compute the orbital magnetization for periodic systems evaluatin...
The performance of several density-functional theory (DFT) methods for the calculation of current de...
Recent work has established Moreau–Yosida regularization as a mathematical tool to achieve rigorous ...
We study the total molecular electronic energy and its Kohn–Sham components within the framework of ...
The description of interacting many-electron systems in external magnetic fields is considered in th...
We present a novel implementation of Kohn-Sham density-functional theory utilizing London atomic orb...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
The first application of current density functional theory (CDFT) to spontaneously magnetised solid...
We present a generalisation of the electron localisation function (ELF) to current-density-functiona...
Density functional method is applied for strongly correlated systems. Based on the assumption that t...