Phase space structures governing reaction dynamics in rotating molecules

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Küçük Resim

Tarih

2012

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Iop Publishing Ltd

Erişim Hakkı

info:eu-repo/semantics/openAccess

Özet

Recently, the phase space structures governing reaction dynamics in Hamiltonian systems have been identified and algorithms for their explicit construction have been developed. These phase space structures are induced by saddle type equilibrium points which are characteristic for reaction type dynamics. Their construction is based on a Poincare-Birkhoff normal form. Using tools from the geometric theory of Hamiltonian systems and their reduction, we show in this paper how the construction of these phase space structures can be generalized to the case of the relative equilibria of a rotational symmetry reduced N-body system. As rotations almost always play an important role in the reaction dynamics of molecules, the approach presented in this paper is of great relevance for applications.

Açıklama

Anahtar Kelimeler

Transition-State Theory, N-Body Problem, Relative Equilibria, Hamiltonian-Systems, Configuration-Space, Classical Mechanics, Internal Motions, Geometry, Energy, Bifurcations

Kaynak

Nonlinearity

WoS Q Değeri

Q1

Scopus Q Değeri

Q1

Cilt

25

Sayı

3

Künye