Add to ORKGWe have developed a rigorous TDDFT formalism for open systems. It is based on the equation of motion for reduced single-electron density matrix. The resulting method has been used to simulate the transient currents through molecular devices
To explore whether the density-functional theory-nonequilibrium Green's function formalism (DFT-NEGF...
Based on our earlier works [X. Zheng, Phys. Rev. B 75, 195127 (2007); J. S. Jin, J. Chem. Phys. 128,...
This is the published version, also available here: http://dx.doi.org/10.1209/0295-5075/88/17008.We ...
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...
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is present...
We prove that the electron density function of a real physical system can be uniquely determined by ...
We propose a time-dependent density functional theoretical (TDDFT) approach in momentum $(\mathcal{P...
An approximate method based on adiabatic time dependent density functional the-ory (TDDFT) is presen...
First principles simulations of electronic quantum transport through nanostructured materials have b...
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting elect...
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
We prove that the electron density function of a real physical system can be uniquely determined by ...
The rapid miniaturization of electronic devices motivates research interests in quantum transport. R...
To explore whether the density-functional theory-nonequilibrium Green's function formalism (DFT-NEGF...
Based on our earlier works [X. Zheng, Phys. Rev. B 75, 195127 (2007); J. S. Jin, J. Chem. Phys. 128,...
This is the published version, also available here: http://dx.doi.org/10.1209/0295-5075/88/17008.We ...
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...
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is present...
We prove that the electron density function of a real physical system can be uniquely determined by ...
We propose a time-dependent density functional theoretical (TDDFT) approach in momentum $(\mathcal{P...
An approximate method based on adiabatic time dependent density functional the-ory (TDDFT) is presen...
First principles simulations of electronic quantum transport through nanostructured materials have b...
Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting elect...
An exact theoretical framework based on Time Dependent Density Functional Theory (TDDFT) is proposed...
Abstract. Time-dependent density functional theory (TDDFT) is a general and robust method allowing t...
We prove that the electron density function of a real physical system can be uniquely determined by ...
The rapid miniaturization of electronic devices motivates research interests in quantum transport. R...
To explore whether the density-functional theory-nonequilibrium Green's function formalism (DFT-NEGF...
Based on our earlier works [X. Zheng, Phys. Rev. B 75, 195127 (2007); J. S. Jin, J. Chem. Phys. 128,...
This is the published version, also available here: http://dx.doi.org/10.1209/0295-5075/88/17008.We ...