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Elsevier eBooks

Relativistic molecular quantum mechanics

Valerio Magnasco

Published Jan 1, 2013• 3 citations
Publisher
DOI
10.1016/b978-0-444-62647-9.00019-1

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A molecular formalism based on a decomposed energy space constructed by a modular basis of matter and radiation is proposed for relativistic quantum mechanics. In the proposed formalism, matter radiation interactions are incorporated via the dynamical transformation of the coupled particle/antiparticle pair in a multistate quantum mechanical framework. This picture generalizes relativistic quantum mechanics at minimal cost, unlike quantum field theories, and the relativistic energy–momentum relation is interpreted as energy transformations among different modules through a multistate Schrödinger equation. The application of two-state and four-state systems using a time-dependent Schrödinger equation with pair states as a basis leads to well-defined solutions equivalent to those obtained from the Klein–Gordon equation and the Dirac equation. In addition, the particle–antiparticle relationship is well manifested through a particle conjugation group. This work provides new insights into the underlying molecular mechanism of relativistic dynamics and the rational design of new pathways for energy transformation.
To study quantum dynamics in the non-relativistic regime, the standard practice is to use non-relativistic quantum mechanics, instead of the relativistic theory, because it is thought the approximate non-relativistic result is always close to the relativistic one. Here we present a theoretical argument that this expectation is not true in general. In addition, supporting numerical evidence for the free rotor and hydrogen atom also shows the agreement between the two theories can break down quickly. For the radial Rydberg wave packet in hydrogen atom, the breakdown can occur before spontaneous emission and thus could be tested experimentally. Our surprising result shows relativistic quantum mechanics must be used, instead of the approximate non-relativistic theory, to correctly study quantum dynamics in the non-relativistic regime after the breakdown time. This paradigm shift opens a new avenue of research in a wide range of fields from atomic to molecular, chemical and condensed-matter physics.