Solution of a mountain pass problem for the isomerization of a molecule with one free atom (Q818762)
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scientific article; zbMATH DE number 5014015
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| English | Solution of a mountain pass problem for the isomerization of a molecule with one free atom |
scientific article; zbMATH DE number 5014015 |
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Solution of a mountain pass problem for the isomerization of a molecule with one free atom (English)
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21 March 2006
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This paper continues the theme started in the previous work [Ann. Henri Poincaré 5, 477--521 (2004; Zbl 1062.81158)] and proves, within the non-relativistic Schrödinger approach and without any assumption at infinity, the existence of a mountain pass point (a so called transition state in quantum chemistry) for a neutral molecule that links its two distinct stable nuclear configurations.
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Schrödinger equation
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molecule
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adiabatic chemical reaction
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transition state
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0.76780236
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0.76603484
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0.76250684
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0.75754356
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0.75410676
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