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Theoretical Chemistry Accounts

Models and paradoxes in quantum chemistry

C. K. J�rgensen

Published Jan 1, 1974• 20 citations
Publisher
DOI
10.1007/bf00578416

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John Bell coined the phrase ``Infamous Boundary" for the point where classical physics splits off from quantum physics. Many authors, including the present one, have advanced theories with the intention of defining and locating this ``shifty split"; most propose that it lies somewhere on the scale of apparatus. But what if it resides at the level of macromolecules? I show here that this question is intimately connected to the choice of thermal ensembles and to the so-called `Hund's Paradox' in quantum chemistry. I propose an experimental set-up that could in principle reveal the IB lurking in asymmetric macromolecules.
Abstract The present day quantum chemistry is mathematically based on von NEUMANN'S formulation of quantum mechanics and therefore not able to deal correctly with anomal quantum states. A general theory of large molecules and large molecular systems has to be founded on quantum field theory allowing for inequivalent irreducible representations. It is proposed to formulate quantum chemistry in the framework of the B*‐algebra of the observables. The paradox of molecular systems having an infinite number of degrees of freedom is discussed, and the possible significance of anomal molecular quantum states for molecular biology is pointed out.