title: Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions.
abstract: A rigorous and practical methodology for evaluating thermal-equilibrium density matrices, finite-temperature time-dependent expectation values, and time-correlation functions is described. The method involves an extension of the matching-pursuit/split-operator-Fourier-transform method to the solution of the Bloch equation via imaginary-time propagation of the density matrix and the evaluation of Heisenberg time-evolution operators through real-time propagation in dynamically adaptive coherent-state representations.
authors.affiliation: Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
authors.forename: Xin
authors.initials: X
authors.lastname: Chen
authors.forename: Yinghua
authors.initials: Y
authors.lastname: Wu
authors.forename: Victor S
authors.initials: VS
authors.lastname: Batista