The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is one of the most widely used conceptual and computational tools of physics. Here, we propose and investigate the inverse map of effective approximate single-particle equations onto the corresponding many-particle system. This approach allows us to understand which interacting system a given single-particle approximation is actually describing, and how far this is from the original physical many-body system. We illustrate the resulting reverse engineering process by means of the Kohn-Sham equations of density-functional theory. In this application, our procedure sheds light on the nonlocality of the density-potential mapping of density-functiona...
Density functional theory and many of its extensions are formally exact quantum many-body theories. ...
Density functional theory (DFT), in its approximate Kohn-Sham formalism, is a highly-acclaimed compu...
This thesis concentrates on the inverse problem in classical statistical mechanics and its applicati...
The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is o...
We give an overview of the fundamental concepts of density functional theory. We give a careful disc...
We give an overview of the fundamental concepts of density functional theory. We give a careful disc...
First principles calculations of many-body systems represent an important tool for investigating the...
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depen...
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the depende...
This dissertation concerns the quantum many-body problem, which is the problem of predicting the pro...
We present a method which uses the results of a molecular Kohn-Sham calculation at a reference geome...
For a quantum-mechanical many-electron system, given a density, the Zhao-Morrison-Parr method allows...
For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-bod...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
Abstract: In potential-functional theory the total electronic energy is expressed as a functional of...
Density functional theory and many of its extensions are formally exact quantum many-body theories. ...
Density functional theory (DFT), in its approximate Kohn-Sham formalism, is a highly-acclaimed compu...
This thesis concentrates on the inverse problem in classical statistical mechanics and its applicati...
The mapping, exact or approximate, of a many-body problem onto an effective single-body problem is o...
We give an overview of the fundamental concepts of density functional theory. We give a careful disc...
We give an overview of the fundamental concepts of density functional theory. We give a careful disc...
First principles calculations of many-body systems represent an important tool for investigating the...
A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depen...
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the depende...
This dissertation concerns the quantum many-body problem, which is the problem of predicting the pro...
We present a method which uses the results of a molecular Kohn-Sham calculation at a reference geome...
For a quantum-mechanical many-electron system, given a density, the Zhao-Morrison-Parr method allows...
For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-bod...
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approxi...
Abstract: In potential-functional theory the total electronic energy is expressed as a functional of...
Density functional theory and many of its extensions are formally exact quantum many-body theories. ...
Density functional theory (DFT), in its approximate Kohn-Sham formalism, is a highly-acclaimed compu...
This thesis concentrates on the inverse problem in classical statistical mechanics and its applicati...