Related papers: Linear-response calculation in the time-dependent …
The cosmological fluid equations are used to study the nonlinear mode coupling of density fluctuations. We find that for realistic cosmological spectra there is a significant contribution to the nonlinear evolution on scales of interest to…
In order to infer the impact of the small-scale physics to the large-scale properties of the universe, we use a series of cosmological $N$-body simulations of self-gravitating matter inhomogeneities to measure, for the first time, the…
We carry out a systematic study of electric dipole mode (E1) for neutron-rich isotopes from nickel (Z=28) to tin (Z=50) using a time-dependent mean-field theory. Our time-dependent scheme is the canonical-basis time-dependent…
Linear-response quantum electrodynamical density functional theory (QEDFT) enables the description of molecular spectra under strong coupling to quantized photonic modes, such as those in optical cavities. Recently, this approach was…
The restoration of particle number within Energy Density Functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and non-projected densities. As an…
The Lipkin-Nogami method is generalized to deal with finite range density dependent forces. New expressions are derived and realistic calculations with the Gogny force are performed for the nuclei $^{164}$Er and $^{168}$Er. The sharp phase…
The formalism of linear response theory for a Skyrme functional including spin-orbit and tensor terms is generalized to the case of infinite nuclear matter with arbitrary isospin asymmetry. Response functions are obtained by solving an…
Real-time time-dependent density functional theory, in conjunction with the Ehrenfest molecular dynamics scheme, is becoming a popular methodology to investigate ultrafast phenomena on the nanoscale. Thanks to recent developments, it is…
A generalization of the Density Functional Theory is proposed. The theory developed leads to single-particle equations of motion with a quasi-local mean-field operator, which contains a quasi-particle position-dependent effective mass and a…
New method for ab initio calculations of the properties of large size system based on phase-amplitude functional is presented. It is shown that Schrodinger equation for many electrons complex system including large size molecules, or…
Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the…
In this paper, we study an adaptive finite element method for a class of a nonlinear eigenvalue problems that may be of nonconvex energy functional and consider its applications to quantum chemistry. We prove the convergence of adaptive…
Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that…
Nuclear response theory beyond the one-loop approximation is formulated for the case of finite temperature. For this purpose, the time blocking approximation to the time-dependent part of the in-medium nucleon-nucleon interaction amplitude…
We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…
A nuclear density functional can be used to find the binding energy and shell structure of nuclei and the energy gap in superconducting nuclear matter. In this paper, we study the possible application of a nuclear density functional theory…
We present a general scheme for the computation of the time dependent (TD) quadratic susceptibility ($\chi^{(2)}$) of an extended insulator obtained by applying the `$2n+1$' theorem to the action functional as defined in TD density…
Relativistic energy density functionals have become a standard framework for nuclear structure studies of ground-state properties and collective excitations over the entire nuclide chart. We review recent developments in modeling nuclear…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
We introduce an efficient and numerically stable method for calculating linear response functions $\chi(\vec{q},\omega)$ of quantum systems at finite temperatures. The method is a combination of numerical solution of the time-dependent…