Jun 15 – 17, 2023
Mount Allison University
Canada/Atlantic timezone

Natural Orbital Properties for Excited States

Jun 16, 2023, 2:30 PM
30m
Dunn 113 (Mount Allison University)

Dunn 113

Mount Allison University

67 York St., Sackville, New Brunswick
Condensed Matter Theory Condensed Matter

Speaker

Prof. Thomas Baker (University of Victoria)

Description

Natural orbitals are defined as the eigenvectors one-body reduced density matrix. These orbitals are a highly convergent basis for the many-body problem. Here, some exact properties of the natural orbitals are discussed, particularly their similarities and differences for excited states with varying energy differences. These results are used to justify the behavior of entanglement renormalization techniques for excited states of both fermions and bosons. The results prove an upper bound on how different density matrices can be for excitations in a system with local correlations. A discussion of the relevance of symmetry on those solutions is also discussed and some examples are provided. I conclude with an outlook of how these results can be applied to real systems.

This research was undertaken, in part, thanks to funding from the Canada Research Chairs Program. The Chair position in the area of Quantum Computing for Modeling of Molecules and Materials is hosted by the Departments of Physics & Astronomy and of Chemistry at the University of Victoria. T.E.B. is grateful for support from the University of Victoria's start-up grant from the Faculty of Science. I acknowledge the support of the Natural Sciences and Engineering Research Council of Canada (NSERC),for RGPIN-2023-05510.

Author

Prof. Thomas Baker (University of Victoria)

Presentation materials