کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9590589 1507008 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The Canonical Transformation Theory and its application to the Reaction Path Hamiltonian
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
The Canonical Transformation Theory and its application to the Reaction Path Hamiltonian
چکیده انگلیسی
The reaction path Hamiltonian is formulated using the canonical transformation theory of classical mechanics. A method for checking the accuracy of the reaction path approach is presented, being based on the definition of a functional depending on the system Lagrangian. It is shown that the difference between the classical exact and the reaction path Hamiltonian dynamics can be expressed in terms of the potential energy sampled during the corresponding trajectories.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 727, Issues 1–3, 16 August 2005, Pages 21-27
نویسندگان
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