Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions.
نویسندگان
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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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 122 6 شماره
صفحات -
تاریخ انتشار 2005