Related papers: On the density-potential mapping in time-dependent…
A derivation of the time-dependent Schr\"odinger equation from the time-independent one is considered. Instead of time, the coordinate of an additional degree of freedom, the clock, is introduced into the original time-independent…
We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope,…
Resonances which result from perturbation of embedded eigenvalues are studied by time dependent methods. A general theory is developed, with new and weaker conditions, allowing for perturbations of threshold eigenvalues and relaxed Fermi…
Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…
The solution of the time-dependent Schr\"odinger equation is discussed for a particle confined in half-space $x>0$ with a linear potential $V(x)=Kx$ in the following situations: (a) sudden removal of the wall and switching on the linear…
Two systems for a charged particle are studied, the first one when it is under the effect of a constant electric field, and the second one when it is under the effect of a constant electromagnetic field. For both systems, it is possible to…
The equations of time-dependent density functional theory are derived, via the expression for the quantum weak value, from ring polymer quantum theory using a symmetry between time and imaginary time. The imaginary time path integral…
Most present applications of time-dependent density functional theory use adiabatic functionals, i.e. the effective potential at time t is determined solely by the density at the same time. This paper discusses a method that aims to go…
Time-dependent orbital-free density functional theory (TD-OFDFT) is an efficient ab-initio method for calculating the electronic dynamics of large systems. In comparison to standard TD-DFT, it computes only a single electronic state…
A quantum electrodynamical time-dependent density functional theory framework is applied to describe strongly coupled light--matter interactions in cavity environments. The formalism utilizes a tensor product approach, coupling real-space…
Functionals that strive to correct for such self-interaction errors, such as those obtained by imposing the Perdew-Zunger self-interaction correction or the generalized Koopmans' condition, become orbital dependent or orbital-density…
We prove a global well-posedness result for defocusing nonlinear Schrodinger equations with time dependent potential. We then focus on time dependent harmonic potentials. This aspect is motivated by Physics (Bose--Einstein condensation),…
In relativistic quantum field theory with local interactions, charge is locally conserved. This implies local conservation of probability for the Dirac and Klein-Gordon wavefunctions, as special cases; and then in turn for non-relativistic…
In this paper, we present a variational treatment of the linear dependence for a non-orthogonal time-dependent basis set in solving the Schr\"odinger equation. The method is based on: i) the definition of a linearly independent working…
We extend the Runge-Gross theorem for a very general class of Markovian and non-Markovian open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS)…
We study the Cauchy problem for the non-linear Schr\"odinger equation with singular potentials. For point-mass potential and nonperiodic case, we prove existence and asymptotic stability of global solutions in weak-L^{p} spaces. Specific…
Time-dependent density functional theory (TDDFT) is widely used for understanding and predicting properties and behaviors of matter. As one of the fundamental theorems in TDDFT, van Leeuwen's theorem [Phys. Rev. Lett. 82, 3863 (1999)]…
We make use of the time-dependent density functional theory to derive a new formally exact expression for the dc resistivity of metals with impurities. This expression takes fully into account the dynamics of electron-electron interactions.…