We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system. By introducing a new density functional for dissipative interactions between the reduced system and its environment, we subsequently develop a time-dependent density-functional theory which depends in principle only on the electron density of the reduced system
In this article, we prove the one-to-one correspondence between vector potentials and particle and c...
One of the most used methods in condensed matter theory and quantum chemistry for the description of...
We introduce an orbital free electron density functional approximation based on alchemical perturbat...
We prove that the electron density function of a real physical system can be uniquely determined by ...
With our proof of the holographic electron density theorem for time-dependent systems, a first-princ...
We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundat...
Accurate descriptions of the electronic properties of molecules, solids and other materials are cruc...
Accurate descriptions of the electronic properties of molecules, solids and other materials are cruc...
We have developed a rigorous TDDFT formalism for open systems. It is based on the equation of motion...
Ground-state density-functional theory (DFT) and time-dependent density-functional theory (TDDFT) ar...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
Density functional theory or DFT is presently the most popular route for computing the electronic st...
Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a f...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
Density Functional Resonance Theory (DFRT) is a complex-scaled version of ground-state Density Funct...
In this article, we prove the one-to-one correspondence between vector potentials and particle and c...
One of the most used methods in condensed matter theory and quantum chemistry for the description of...
We introduce an orbital free electron density functional approximation based on alchemical perturbat...
We prove that the electron density function of a real physical system can be uniquely determined by ...
With our proof of the holographic electron density theorem for time-dependent systems, a first-princ...
We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundat...
Accurate descriptions of the electronic properties of molecules, solids and other materials are cruc...
Accurate descriptions of the electronic properties of molecules, solids and other materials are cruc...
We have developed a rigorous TDDFT formalism for open systems. It is based on the equation of motion...
Ground-state density-functional theory (DFT) and time-dependent density-functional theory (TDDFT) ar...
URL:http://link.aps.org/doi/10.1103/PhysRevLett.103.166402 DOI:10.1103/PhysRevLett.103.166402We pre...
Density functional theory or DFT is presently the most popular route for computing the electronic st...
Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a f...
We present an alternative to the Kohn-Sham formulation of density-functional theory for the ground-s...
Density Functional Resonance Theory (DFRT) is a complex-scaled version of ground-state Density Funct...
In this article, we prove the one-to-one correspondence between vector potentials and particle and c...
One of the most used methods in condensed matter theory and quantum chemistry for the description of...
We introduce an orbital free electron density functional approximation based on alchemical perturbat...