HEIndividual fellowship2023–2025

NeqMolRot · Non-Equilibrium Field Theory of Molecular Rotations

Horizon Europe — Marie Skłodowska-Curie Actions

Duration
2023-02-01 → 2025-01-31
EU contribution
€199,441
Participants
1
Scheme
HORIZON-TMA-MSCA-PF-EF

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Results in brief

Non-Equilibrium Field Theory of Molecular Rotations

In the last century, Quantum Mechanics has been a story of unabashed success, reshaping our understanding of physical reality not only at the smallest length scales of elementary particles, but providing us with an exquisite control over many phenomena which are crucial for the technology development of our species. Examples span from transistor and light-emitting diodes, through lasers and superconductors, up to the disruptive potential of quantum information science. Many concepts once thought to be definitely settled have been uprooted over the decades, and rotations are no exceptions. Now, interest in rotational dynamics dates back to ancient astronomy and its mathematical description proved highly non-trivial even in the classical world of our macroscopic experience, whether we look at kids’ tops or at gyroscopes and other engine components. Quantum mechanically, it was clear that a certain divide emerged over the last decades. On one hand, the mathematical formulation of quantized angular momentum (i.e. the “propensity” of a body to rotate) was quite quickly implemented in the Fifties by towering figures like E. Wigner and G. Racah; they clearly had in mind how, for instance, reactivity of molecules depends on their relative orientation, a crucial issue for chemistry. However, coupling different angular momenta can quickly escalate to an intractable problem, hindering our understanding about quantum rotations happening in quantum liquids (Helium, cold atoms, even light in properly engineered cavities). Here, we aim exactly to untangle this dynamics, by making use of a versatile set of theoretical tools, easily expendable in different context, such as molecules in liquid Helium or ultracold atomic vapours, nanoparticles trapped by electromagnetic radiation or electronic devices whose conduction properties are modified by the presence of molecular potential. The perspective is often the one of “impurity problem”, originally employed for electrons moving in positively charged ionic crystals (the so-called “polaron problem”). If there is no internal structure, and the impurity is point-like, the particle experiences friction, i.e. a linear slowing-down force. On the other hand, we show how objects able to perform rotations in real space can exchange angular momentum with their environment; the features of this exchange dynamics can help us parse different behaviour, depending on how the system is prepared initially, or on how strongly it is coupled with its environment. In parallel, it is crucial to keep in mind the rotational dynamics being affected by the surrounding environment is only half of the story, and the medium can itself be modified by the presence of the impurity. A clear example is provided by chiral molecules (i.e. structures not superimposable with their mirror image, like our hands or DNA helices).

Data: CORDIS, © European Union

Project objective

At the interface between chemistry and physics, in this project we aim to develop a non-equilibrium field-theoretical approach to investigate molecular rotations in the presence of a many-body environment and driving laser fields. Unlike electrons or atoms, molecules are extended objects, with a rich internal structure and the possibility to perform rotations, in compliance with the non-trivial algebra of quantized angular momentum. A long-standing goal of chemical physics is the control of bimolecular reactions: molecular reactivity strongly depends on the relative orientation of molecules which, in turn, is affected by the surrounding environment. External laser pulses are applied to prepare the reactants in certain rotational states and/or drive them to a specific alignments. Thus, the interplay between external driving and dissipation due to the solvent is crucial for the quantum control of molecular rotations. In this inherently out-of-equilibrium context we aim to develop a field-theoretical approach to describe molecules in bosonic and fermionic baths. Starting from diatomic molecules, we aim to extend our theory to more complex structures and different shape and duration of the aligning laser pulses. The project aims to pave the way for a highly innovative strategy to model dynamics of molecular systems and composite impurities, based on quantum field theory in its non-equilibrium functional formulation.

Original text from CORDIS.

Participants

  • INSTITUTE OF SCIENCE AND TECHNOLOGY AUSTRIA · KlosterneuburgCoordinatorAustria

Links

Data: CORDIS, © European Union