INTRINSIC FIELD-THEORY OF CHEMICAL-REACTIONS

被引:70
作者
TACHIBANA, A
FUKUI, K
机构
[1] Department of Hydrocarbon Chemistry, Faculty of Engineering, Kyoto University, Kyoto
来源
THEORETICA CHIMICA ACTA | 1979年 / 51卷 / 04期
关键词
Dynamical potential field; Geodesic law; Intrinsic field theory; Intrinsic principle of least action; Intrinsic reaction coordinate (IRC) approach; Structural stability;
D O I
10.1007/BF00548937
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
An intrinsic principle of least action is presented for the intrinsic dynamism of chemical reactions. Then, as the stationary trajectory, a meta-IRC (intrinsic reaction coordinate) draws a geodesic curve in a rigged Riemannian space. This establishes a geodesic law for the intrinsic dynamism. Moreover, a diagrammatic perturbation theory is formulated for the intrinsic dynamism, and a dynamical interaction between a chemically reacting system and a background system is investigated. Then, the structural stability of the system is discussed using a new concept of the dynamical potential field. An example is given in order to elucidate the present theory. © 1979 Springer-Verlag.
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页码:275 / 296
页数:22
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