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arXiv:1210.0378 · Progress of Theoretical and Experimental Physics

Density functional approaches to collective phenomena in nuclei: Time-dependent density functional theory for perturbative and non-perturbative nuclear dynamics

Takashi Nakatsukasa

Published Jan 1, 2012• 47 citations
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Abstract

We present the basic concepts and our recent developments in density functional approaches with Skyrme functionals for describing nuclear dynamics at low energy.Time-dependent density functional theory (TDDFT) is utilized for the exact linear response with an external perturbation.For a description of collective dynamics beyond the perturbative regime, we present a theory of a decoupled collective submanifold to describe a slow motion based on TDDFT.Selected applications are shown to demonstrate the quality of their performance and feasibility.The advantages and disadvantages of the numerical aspects are also discussed.. . . . . .

DOI
10.1093/ptep/pts016

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The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for the determination of energy and density profiles of inhomogeneous systems, the applicability of TDDFT to the investigation of dynamic phenomena (for example propagation of collective phenomena) is less obvious especially in the microscopic regime of large wave vectors. The purpose of this paper is to discuss some relevant questions concerning the structure, the ingredients and the applicability of TDDFT. Some emphasis will be also given to establish important connections between TDDFT and microscopic theories such as the Feynman theory for the elementary excitations of Bose superfluids.
Abstract The linear response theory is a powerful tool to study properties of quantum many-particle systems. It uses a one-body perturbation field (as a pump) and measures a change in another (or the same) one-body observable (as a probe). In the context of time-dependent density functional theory (TDDFT), the primary target of the linear response is the density response. The finite amplitude method (FAM) significantly reduces both computational cost and coding tasks, and succeeds in facilitating the linear response calculations in a variety of fields in nuclear physics. We start with a review of the linear response theory and present the essence of the FAM theory and various applications, especially in studies of nuclear collective dynamics.
For the calculation of neutral excitations, time-dependent density functional theory (TDDFT) is an exact reformulation of the many-body time-dependent Schrödinger equation, based on knowledge of the density instead of the many-body wavefunction. The density can be determined in an efficient scheme by solving one-particle non-interacting Schrödinger equations—the Kohn–Sham equations. The complication of the problem is hidden in the—unknown—time-dependent exchange and correlation potential that appears in the Kohn–Sham equations and for which it is essential to find good approximations. Many approximations have been suggested and tested for finite systems, where even the very simple adiabatic local-density approximation (ALDA) has often proved to be successful. In the case of solids, ALDA fails to reproduce optical absorption spectra, which are instead well described by solving the Bethe–Salpeter equation of many-body perturbation theory (MBPT). On the other hand, ALDA can lead to excellent results for loss functions (at vanishing and finite momentum transfer). In view of this and thanks to recent successful developments of improved linear-response kernels derived from MBPT, TDDFT is today considered a promising alternative to MBPT for the calculation of electronic spectra, even for solids. After reviewing the fundamentals of TDDFT within linear response, we discuss different approaches and a variety of applications to extended systems.