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On boundedness of isomerization paths for non- and semirelativistic molecules

Anapolitanos, Ioannis 1; Olivieri, Marco 1; Zalczer, Sylvain 1
1 Institut für Analysis (IANA), Karlsruher Institut für Technologie (KIT)

Abstract:

This article focuses on isomerizations of molecules, i.e. chemical reactions during which a molecule is transformed into another one with the same atoms but in a different spatial configuration. We consider the special case in which the system breaks into two submolecules whose internal geometry is solid during the whole procedure. We prove, under some conditions, that the distance between the two submolecules stays bounded during the entire reaction. This paper generalizes [6] in two directions. The first one is that we relax the assumptions that the ground state eigenspaces of the submolecules have to fulfill. The second one is that we allow semirelativistic kinetic energy as well.


Volltext §
DOI: 10.5445/IR/1000154136
Veröffentlicht am 02.01.2023
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Analysis (IANA)
Sonderforschungsbereich 1173 (SFB 1173)
Publikationstyp Forschungsbericht/Preprint
Publikationsmonat/-jahr 12.2022
Sprache Englisch
Identifikator ISSN: 2365-662X
KITopen-ID: 1000154136
Verlag Karlsruher Institut für Technologie (KIT)
Umfang 48 S.
Serie CRC 1173 Preprint ; 2022/77
Projektinformation SFB 1173/2 (DFG, DFG KOORD, SFB 1173/2 2019)
Externe Relationen Siehe auch
Schlagwörter mountain pass, isomerizations, semirelativistic kinetic energy
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