Reaction path Hamiltonian based on a reaction coordinate and a curvature coordinate
نویسندگان
چکیده
منابع مشابه
Reaction Path Hamiltonian Based on a Reaction Coordinate and a Curvature Coordinate
We propose a reaction path‐based Hamiltonian in terms of the reaction coordinate, the curvature coordinate, the remaining 3N−8 transverse normal coordinates (whose directions are orthogonal to the path tangent and curvature vectors), and their conjugate momenta, for an Natomic reaction system. The 3N−8 transverse vibrational modes are independent of the motion along the reaction path, although ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1996
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.471019