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arXiv:1110.3545 · Computational and Theoretical Chemistry

Stability of chiral states, role of intermolecular interactions and molecular parity violation

Mohammad Bahrami, Afshin Shafiee

Published Oct 15, 2011• 4 citations
arXivHTMLPDF
DOI
10.1016/j.comptc.2011.09.038

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In the mean-field theory, the stabilization of chiral molecules is understood as a quantum phase transition where the mean-field ground state of molecules changes from the achiral eigenstate of the molecular Hamiltonian to one of the degenerated chiral states due to the increase of the intermolecular interaction. Starting from the many-body Hamiltonian of the molecular gases with electric dipole-dipole interactions, we give static Gross-Pitaevskii equations without free parameters in the vibrational dimension to explore the achiral-chiral transitions of chiral molecules. We find that the achiral-chiral transitions can be classified into two categories: in one category the mean-field ground state changes continuously with the increase of the intermolecular interaction, in the other category the mean-filed ground state changes discontinuously. In order to summarize our results, we give the mean-field phase diagram of the achiral-chiral transitions.
We examine the effect of decoherence and intermolecular interactions (chiral discrimination energies) on the chiral stability and the distinguishability of initially pure versus mixed states in an open chiral system. Under a two-level approximation for a system, intermolecular interactions are introduced by a mean-field theory, and interaction between a system and an environment is modeled by a continuous measurement of a population difference between the two chiral states. The resultant equations are explored for various parameters, with emphasis on the combined effects of the initial condition of the system, the chiral discrimination energy and the decoherence. We focus on factors affecting the distinguishability as measured by population difference between the initially pure and mixed states and on the chiral stability as measured by the purity decay.
We examine the effect of decoherence and intermolecular interactions (chiral discrimination energies) on the chiral stability and the distinguishability of initially pure versus mixed states in an open chiral system. Under a two-level approximation for a system, intermolecular interactions are introduced by a mean-field theory, and interaction between a system and an environment is modeled by a continuous measurement of a population difference between the two chiral states. The resultant equations are explored for various parameters, with emphasis on the combined effects of the initial condition of the system, the chiral discrimination energies, and the decoherence in determining: the distinguishability as measured by a population difference between the initially pure and mixed states, and the decoherence process; the chiral stability as measured by the purity decay; and the stationary state of the system at times long relative to the time scales of the system dynamics and of the environmental effects.