Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions.

نویسندگان

  • Xin Chen
  • Yinghua Wu
  • Victor S Batista
چکیده

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.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 122 6  شماره 

صفحات  -

تاریخ انتشار 2005