Premium
EPR correlations in the molecular domain
Author(s) -
Krüger Thomas
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)64:6<679::aid-qua5>3.0.co;2-t
Subject(s) - epr paradox , theoretical physics , electron paramagnetic resonance , domain (mathematical analysis) , dissociation (chemistry) , quantum , quantum mechanics , physics , chemistry , mathematics , quantum entanglement , mathematical analysis
“Quantum mechanics is the first mathematically formulated scientific theory where in a nontrivial way the whole is more than the combination of its parts” (H. Primas, 1982). Nowadays most chemical observations and phenomena are understood on the basis of the molecular point of view. The three‐dimensional molecules chemists speak about are micro‐entities that as such are subject to a theoretical description in terms of quantum mechanics. Therefore one would expect that also in the molecular domain holistic effects appear which are caused by the well‐known Einstein–Podolsky–Rosen (EPR) correlations. In the present study we demonstrate that—the unrestricted validity of quantum mechanics presupposed—such correlation phenomena play an important role in the description of a dissociation reaction A 2 ⇒2A, where an intrinsic (structure establishing) degree of freedom fades into a mere translation of the fragments. Finally we will address the question, why in general EPR correlations are observed quite rarely in the domain of molecules—despite their fundamental importance for the notion of molecule itself. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64 : 679–687, 1997