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A riemann geometrical formulation of the principle of least electronic motion in chemical reactions

✍ Scribed by Akira Igawa; Hideo Fukutome

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
441 KB
Volume
133
Category
Article
ISSN
0009-2614

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✦ Synopsis

Riemann geometry is introduced into the nuclear coordinate space for a chemical reaction by defining a metric tensor which represents the change in the electronic wavefunction resulting from a small change of nuclear coordinates. A reaction path with the least electronic motion corresponds to a geodesic line in this Riemamr space. The theory is applied to a simple model of an electrocyclic reaction.

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