Diagrammatic Monte Carlo approach to angular momentum in quantum many-body systems

Giacomo Bighin (ISTA, Klosterneuburg)

Dec 10. 2019, 14:40 — 15:00

We introduce a Diagrammatic Monte Carlo (DiagMC) approach to molecular impurities, possessing rotational degrees of freedom [1]. The technique is based on a diagrammatic expansion [2] that merges the usual Feynman diagrams with the angular momentum diagrams known from atomic and nuclear structure theory, thereby incorporating the non-Abelian algebra inherent to quantum rotations. Due to the peculiar way in which angular momenta couple, the configuration space is larger with respect to most DiagMC applications, and a new class of updates is needed in order to span it completely. We exemplify the technique by obtaining an all-coupling solution of the angulon model - essentially a molecular impurity in a quantum many-body environment - showing that our approach correctly recovers the strong-coupling limit. However, the technique is general and can be applied to a broad variety of systems possessing angular momentum degrees of freedom, thereby establishing a far-reaching connection between DiagMC techniques and molecular simulations. [1] G. Bighin, T. V. Tscherbul, and M. Lemeshko, Phys. Rev. Lett. 121, 165301 (2018). [2] G. Bighin and M. Lemeshko, Phys. Rev. B 96, 419 (2017).

Further Information
ESI Boltzmann Lecture Hall
Associated Event:
Polarons in the 21st Century (Workshop)
Jozef Devreese (U Antwerpen)
Cesare Franchini (U Vienna)
Georg Kresse (U Vienna)
Jacques Tempere (U Antwerpen)