We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional Density Functional Theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term LDFT, the basic variables are the den- sity, the canonical momentum, and the paramagnetic contribution to the magnetic moment. Both a constrained-search formulation and a convex formulation in terms of Legendre–Fenchel transfor- mations are constructed. Many theoretical issues in CDFT find simplified analogues in LDFT. We prove results concerning N-representability, Hohenberg–Kohn-like mappings, existence of minimiz- ers in the constrained-search expression, and a restricted analogue to gauge invarian...
The density-functional theory (DFT) of Hohenberg and Kohn [1] has become the Swiss army knife of the...
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is...
We show how to describe the coupling of electrons to nonuniform magnetic fields in the framework of ...
We construct a density-functional formalism adapted to uniform external magnetic fields that is inte...
A cornerstone of current–density functional theory (CDFT) in its paramagnetic formulation is proven....
This thesis contains four articles related to mathematical aspects of Density Functional Theory. In ...
We study the effects of magnetic fields in the context of magnetic field density-functional theory (...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
We study the effects of magnetic fields in the context of magnetic field density-functional theory (...
Magnetic properties are an important application area in quantum chemistry. However, for the most wi...
Recent work has established Moreau–Yosida regularization as a mathematical tool to achieve rigorous ...
Chemical reactions, charge transfer reactions, and magnetic materials are notoriously difficult to d...
The performance of density-functional theory to solve the exact, nonrelativistic, many-electron prob...
Density functional theory and its application for the simulation of magnetic properties of condensed...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
The density-functional theory (DFT) of Hohenberg and Kohn [1] has become the Swiss army knife of the...
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is...
We show how to describe the coupling of electrons to nonuniform magnetic fields in the framework of ...
We construct a density-functional formalism adapted to uniform external magnetic fields that is inte...
A cornerstone of current–density functional theory (CDFT) in its paramagnetic formulation is proven....
This thesis contains four articles related to mathematical aspects of Density Functional Theory. In ...
We study the effects of magnetic fields in the context of magnetic field density-functional theory (...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
We study the effects of magnetic fields in the context of magnetic field density-functional theory (...
Magnetic properties are an important application area in quantum chemistry. However, for the most wi...
Recent work has established Moreau–Yosida regularization as a mathematical tool to achieve rigorous ...
Chemical reactions, charge transfer reactions, and magnetic materials are notoriously difficult to d...
The performance of density-functional theory to solve the exact, nonrelativistic, many-electron prob...
Density functional theory and its application for the simulation of magnetic properties of condensed...
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual b...
The density-functional theory (DFT) of Hohenberg and Kohn [1] has become the Swiss army knife of the...
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is...
We show how to describe the coupling of electrons to nonuniform magnetic fields in the framework of ...