Linear response theory: many-body formulation

Arnold J. Glick

R. F. Bishop

Carsten A. Ullrich

This chapter discusses the linear-response framework of time-dependent density-functional theory (TDDFT). It begins with a thorough and self-contained exposition of general linear-response theory for many-body systems. The time-dependent as well as the frequency-dependent response are discussed. Several exact representations and properties of the density-density response function are reviewed, such as the Lehmann representation and fluctuation-dissipation theorem, and the Kramers-Kronig relations. It is shown how several important spectroscopic observables are obtained from linear-response theory. Then, the TDDFT formulation of linear-response theory is derived. The key quantity in this formalism is the so-called exchange-correlation kernel. The remainder of the chapter demonstrates how this linear-response formalism can be used to calculate excitation energies in principle exactly with TDDFT. The Casida equation is derived, as well as several approximate schemes. A comparison is made with time-dependent Hartree-Fock theory.

Xiaotian Nie, Wei Zheng

Adiabatic theorem and non-adiabatic corrections have been widely applied in modern quantum technology. Recently, non-adiabatic linear response theory has been developed to probe the many-body correlations in closed systems. In this work, we generalize the non-adiabatic linear response theory to open quantum many-body systems. We show that, similar to the closed case, the first-order deviation from the instantaneous steady state is memoryless—it depends only on the final parameters and not on the initial state or ramping path. When ramping the Hamiltonian, the linear response of observables is governed by the derivative of the retarded Green’s function, as in closed systems. In contrast, ramping the dissipation gives rise to a different response, characterized by a high-order correlation function defined in the steady state. Our results offer a compact and physically transparent formulation of non-adiabatic response in open systems, and demonstrate that ramping dynamics can serve as a versatile tool for probing many-body correlations beyond equilibrium.

Antonio Palamara, Francesco Plastina, Antonello Sindona +1 more

The nonequilibrium thermodynamics of interacting quantum many-body systems is investigated within the framework of thermal time-dependent density functional theory using a generalized linear-response formulation for the full quantum work statistics. A first-principles route is established to reconstruct the relaxation function that underlies linear-response theory, thereby moving beyond phenomenological descriptions and enabling a consistent evaluation of all moments of the dissipated-work distribution in interacting systems. The predictive power of the approach is demonstrated for the Hubbard model subject to a staggered external potential, where the evolution of the relaxation dynamics during the Mott-to-band-insulator crossover reveals how distinct many-body phases shape the out-of-equilibrium thermodynamic response. These results provide a microscopic and transferable framework for quantum thermodynamics in correlated systems, bridging thermal density functional theory and nonequilibrium work statistics.