Wick rotation derivation for weak values of the density and time-dependent density functional theory
Phys. Rev. A 114, 012206 – Published 13 July, 2026
DOI: https://doi.org/10.1103/mpb7-534c
Abstract
The equations of time-dependent density functional theory are derived, via the expression for a quantum weak value, from ring polymer self-consistent-field theory using a mathematical correspondence between time and imaginary time. The imaginary-time path-integral formalism of Feynman, in which inverse temperature is seen to be a Wick rotation of time, allows one to write the equilibrium partition function of a quantum system in a form mathematically isomorphic to the path-integral expression for the dynamics. Therefore, the self-consistent-field theory equations which are solutions to the equilibrium partition function are Wick rotated back into a set of dynamic equations, which are shown to give an expression for a quantum weak value of the one-particle density. Remarkably, weak values emerge naturally here without being postulated, as an intermediate step before recovering the standard expression for the density. The weak-value expression in turn leads to the equations of time-dependent density functional theory. This first-principles derivation does not use the theorems of density functional theory, which are instead applied to guarantee equivalence with standard quantum mechanics. An expression for finite-temperature dynamics is also given, which shows that a ring polymer model for quantum particles holds for time-dependent systems as well as equilibrium situations. Issues arising in time-dependent density functional theory, such as causality, initial-state dependence, and -representability, are discussed in the context of the ring polymer derivation.