Related papers: On the density-potential mapping in time-dependent…
In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…
Using similarity transformations we construct explicit nontrivial solutions of nonlinear Schr\"odinger equations with potentials and nonlinearities depending on time and on the spatial coordinates. We present the general theory and use it…
The recently proposed universal relations between the moments of the polydispersity distributions of a phase-separated weakly polydisperse system are analyzed in detail using the numerical results obtained by solving a simple density…
We investigate the dynamics of a particle in a confined periodic system---a time-dependent oscillator confined by infinitely high and moving walls---and focus on the evolution of the phase of the wavefunction. It is shown that, for some…
The complete solutions of the Schr\"odinger equation for a particle with time-dependent mass moving in a time-dependent linear potential are presented. One solution is based on the wave function of the plane wave, and the other is with the…
We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…
Time-dependent density functional theory is extended to include dissipative systems evolving under a master equation, providing a Hamiltonian treatment for molecular electronics. For weak electric fields, the isothermal conductivity is…
We propose a computationally efficient approach to the nonadiabatic time-dependent density functional theory (TDDFT) which is based on a representation of the frequency-dependent exchange correlation kernel as a response of a set of damped…
Non-relativistic quantum mechanics for a free particle is shown to emerge from classical mechanics through an invariance principle under transformations that preserve the Heisenberg position-momentum inequality. These transformations are…
In principle, we should not need the time-dependent extension of density-functional theory (TDDFT) for excitations, and in particular not for Molecular Dynamics (MD) studies: the theorem by Hohenberg and Kohn teaches us that for any…
We consider the inverse problem of determining a time-dependent damping coefficient $a$ and a time-dependent potential $q$, appearing in the wave equation $\partial_t^2u-\Delta_x u+a(t,x)\partial_tu+q(t,x)u=0$ in $Q=(0,T)\times\Omega$, with…
The Hohenberg-Kohn theorem, a cornerstone of electronic density functional theory, concerns uniqueness of external potentials yielding given ground densities of an ${\mathcal N}$-body system. The problem is rigorously explored in a universe…
The Quantum-Electrodynamical Time-Dependent Density Functional Theory (QED-TDDFT) equations are solved by time propagating the wave function on a tensor product of a Fock-space and real-space grid. Applications for molecules in cavities…
This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object.…
We study the mapping between time-dependent densities and potentials for noninteracting electronic systems on lattices. As discovered recently by Baer [J. Chem. Phys. 128, 044103 (2008)], there exist well-behaved time-dependent density…
Multi-time wave functions are wave functions that have a time variable for every particle, such as $\phi(t_1,x_1,\ldots,t_N,x_N)$. They arise as a relativistic analog of the wave functions of quantum mechanics but can be applied also in…
We investigate the Schrodinger equation for a particle with a nonuniform solitonic mass density. First, we discuss in extent the (nontrivial) position-dependent mass $V(x)=0$ case whose solutions are hypergeometric functions in…
In this paper we apply the formalism of the analytical signal theory to the Schrodinger wavefunction. Making use exclusively of the wave-particle duality and the principle of relativistic covariance, we actually derive the form of the…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…