Related papers: Linear-response calculation in the time-dependent …
We consider the finite volume approximation of a reaction-diffusion system with fast reversible reaction. We deduce from a priori estimates that the approximate solution converges to the weak solution of the reaction-diffusion problem and…
Vignale and Kohn have recently formulated a local density approximation to the time-dependent linear response of an inhomogeneous electron system in terms of a vector potential for exchange and correlation. The vector potential depends on…
The density-density correlations of the non-interacting finite temperature electron gas are discussed in detail. Starting from the ideal linear density response function and utilizing general relations from linear response theory, known and…
We introduce a numerically exact and computationally feasible nonlinear-response theory developed for lossy superconducting quantum circuits based on a framework of quantum dissipation in a minimally extended state space. Starting from the…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
This paper develops a quantitatively accurate first-principles description for the frequency and the linewidth of collective electronic excitations in inhomogeneous weakly disordered systems. A finite linewidth in general has intrinsic and…
Linear response theories in the continuum capable of describing continuum spectra and dynamical correlations are presented. Our formulation is essentially the same as the continuum random-phase approximation (RPA) but suitable for uniform…
We present a theoretical approach based on density functional theory supplemented by a microscopic multi-phonon model which is applied for investigations of pygmy resonances and other excitations of different multipolarities in stable and…
We compute nuclear response functions by solving the time-dependent A-body Schr\"odinger equation, recording the time-dependent transition moment and extracting spectral information via Fourier transforms. The solution of the time-dependent…
Linear response functions are calculated for symmetric nuclear matter of normal density by time-evolving two-time Green's functions with conserving self-energy insertions, thereby satisfying the energy-sum rule. Nucleons are regarded as…
A new and thorough derivation of linear-response subsystem time-dependent density functional theory (TD-DFT) is presented and analyzed in detail. Two equivalent derivations are presented and naturally yield self-consistent subsystem TD-DFT…
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…
We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional thoery, using a real-space representation of the electron wave functions and calculating the dynamics in real time. The…
The understanding of the large-scale structure formation requires the resolution of coupled nonlinear equations describing the cosmic density and velocity fields. This is a complicated problem that, for the last decade, has been essentially…
The theory of nonlinear response for Markov processes obeying a master equation is formulated in terms of time-dependent perturbation theory for the Green's functions and general expressions for the response functions up to third order in…
We introduce a new class of effective interactions to be used within the energy-density-functional approaches. They are based on regularized zero-range interactions and constitute a consistent application of the effective-theory methodology…
We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…
We describe a finite-field approach to compute density response functions, which allows for efficient $G_0W_0$ and $G_0W_0\Gamma_0$ calculations beyond the random phase approximation. The method is easily applicable to density functional…
We present a comprehensive theoretical description for an irradiation of an ultrashort light pulse normally on thin materials based on first-principles time-dependent density functional theory. As the most elaborate scheme, we develop a…
Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…