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Mean-Fielding in Path-Integral Simulations of Quantum Condensed Matter Systems

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1st Year PhD Report

Feynman’s path integral formulation of quantum mechanics reveals an isomorphism between static thermal averages in quantum and extended classical systems. Furthermore, provided quantum coherence effects can be neglected, an approximate isomorphism can be constructed for dynamical thermal averages. In this talk I use the resulting description, known as “Matsubara dynamics”, to generalise an existing path-integral based approximation and analyse the effects that mean-fielding approximations to Feynman path fluctuations have on calculated dynamical properties, namely IR absorption spectra.

This talk is part of the Theory - Chemistry Research Interest Group series.

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