Generic Galilean invariant exchange correlation functionals with quantum memory

Abstract

Today, most application of time-dependent density functional theory (TDDFT) use adiabatic exchange-correlation (XC) potentials that do not take into account non-local temporal effects. Incorporating such "memory" terms into XC potentials is complicated by the constraint that the derived force and torque densities must integrate to zero at every instance. This requirement can be met by deriving the potentials from an XC action that is Galilean in-variant (GI). We develop a class of simple but flexible forms for an action that respect these constraints. The basic idea is to formulate the action in terms of the Eularian-Lagrangian transformation (ELT) metric tensor, which is itself GI. The general form of the XC potentials in this class is then derived and the linear response limit is derived as well.

References in corpus (7)

• Current-dependent exchange-correlation potential for dynamical linear response theory
• Time-dependent density functional theory beyond the adiabatic local density approximation
• Excitations in time-dependent density-functional theory
• Center of mass and relative motion in time dependent density functional theory
• Quantum many-body dynamics in a Lagrangian frame: I. Equations of motion and conservation laws
• Time-dependent exchange-correlation current density functionals with memory
• Local exchange-correlation vector potential with memory in Time-Dependent Density Functional Theory: the generalized hydrodynamics approach

Cited by in corpus (9)

• Stochastic Time-Dependent Current-Density-Functional Theory
• Time-dependent deformation functional theory
• Quantum memory effects on the dynamics of electrons in small gold clusters
• Relaxation and dephasing in open quantum systems time-dependent density functional theory: Properties of exact functionals from an exactly-solvable model system
• Time-Dependent Density Functional Theory of Open Quantum Systems in the Linear-Response Regime
• Adapting approximate memory potentials for time-dependent density functional theory
• Time-dependent current density functional theory via time-dependent deformation functional theory: A constrained search formulation in the time domain
• Investigating interaction-induced chaos using time-dependent density functional theory
• Quantum continuum mechanics in a strong magnetic field