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The overall aim of Quantum Metrology with Photoelectrons Vol. 3 is to expand, explore, and illustrate new computational developments in quantum metrology with photoelectrons: specifically, the application of new python-based tools to tackle general problems in photoionization matrix element retrieval. Part I details the topic, theory and computational methods; Part II provides further numerical details and case-studies, specifically employing the generalised bootstrap retrieval protocol, which makes use of rotational wavepackets as a geometric control parameter. Problems of various size and difficulty are investigated, with the largest for an asymmetric top with 38 complex matrix elements (equivalently, a 38x38 density matrix retrieval).
Key Features:
- Interpreting experimental data.
- Extraction/reconstruction/determination of quantum mechanical properties (matrix elements, wavefunctions, density matrices) from experimental data.
- Comparison of experimental and theoretical data.
- New analysis methodologies & techniques.
- Introduction to newly-developed software platforms
Paul Hockett earned his PhD in 2008 from the University of Nottingham, UK and joined the National Research Council of Canada in 2009. Paul's research interests cover a range of topics spanning the areas of AMO (atomic, molecular, and optical), quantum, and computational physics (and physical chemistry), with a particular focus on fundamental light-matter interactions, spectroscopy, and application to complex systems.
Varun Makhija earned a Ph.D. in physics from Kansas State University in 2014 and has served as Assistant Professor of Physics, in the Department of Chemistry and Physics, at the University of Mary Washington since 2019. Varun’s research focuses on quantum dynamics in molecules, with a particular interest in physical phenomena driven by quantum coherences and the information content therein.
Preface
Acknowledgements
Author biographies
Abstract
A note on book versions, formats, and conventions
1 Introduction
2 Quantum metrology software platform/ecosystem overview
3 Theory
4 Numerical methodologies for extracting matrix elements
Part II Extracting matrix elements—numerical methods and case studies
5 Extracting matrix elements overview
6 Basis sets for fitting
7 General fit setup and numerics
8 Case study: generalised bootstrapping for a homonuclear diatomic scattering system, N2 (D∞h)
9 Case study: generalised bootstrapping for a linear heteronuclear scattering system, OCS C( )
10 Case study: generalised bootstrapping for a general asymmetric top scattering system, CH ( )
11 Case studies: summaries, conclusions and outlook
Part III Test pages
Glossary