کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5375036 1504288 2010 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Low-temperature correlation functions via forward-backward quantum dynamics
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Low-temperature correlation functions via forward-backward quantum dynamics
چکیده انگلیسی
We present an extension of forward-backward quantum dynamics suitable for evaluating finite-temperature time correlation functions for one-dimensional systems at low temperatures. The procedure relies on the cooling action of the Boltzmann operator, which produces a state similar to the lowest energy eigenstate with the given symmetry. As we have shown earlier, the quantum trajectories of near-eigenstates can be integrated by a numerical procedure based on a generalization of Hamilton's principle of stationary action. Evaluation of the trace may be performed in a generic basis set, obviating the need to calculate eigenstates. Numerical applications illustrate the method.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 370, Issues 1–3, 12 May 2010, Pages 15-19
نویسندگان
, ,