Development of a static quantum embedding theory towards dynamic quantities

Lead Research Organisation: King's College London
Department Name: Physics

Abstract

Develop rigorous computational approaches to correlated electronic structure which circumvents the steep increase in computational resources with respect to system size. By exploiting the locality of electron correlation, we are able to fragment the system into a set of smaller and more tractable problems, while ideas from the domain of quantum information theory allow us to couple these open fragments together effectively and with a systematically improvable accuracy. We also aim to go beyond ground-state properties, towards spectroscopic observables, by working in a state-universal moment expansion of these variables over their entire frequency domain. These developments plot a path towards accurate and non-empirical correlated electronic structure of extended systems with a scaling that can finally compete with established mean-field approaches.

Publications

10 25 50

Studentship Projects

Project Reference Relationship Related To Start End Student Name
EP/T517963/1 30/09/2020 29/09/2025
2606126 Studentship EP/T517963/1 30/09/2021 01/12/2025 Basil Ibrahim