School of Mathematical Sciences

Bound State Stability in Three-Body Coulomb Systems

Location
Physics B21
Date(s)
Monday 6th February 2023 (15:00-16:00)
Contact
Event Convenor Contact: gerardo.adesso@nottingham.ac.uk
Description
Speaker's Name: Hazel Cox
Speaker's Affiliation: University of Sussex
Speaker's Research Theme(s): Chemistry Guest Speaker,
Abstract:
As high-precision experiments become more sophisticated, and systems probed become more complex, it's important to ensure theory remains an essential tool for interpreting and predicting chemical systems and phenomena. Three-body Coulomb systems are the simplest that capture the effects of electron correlation and nuclear motion and are therefore of interest for atomic and molecular theory but also for systems containing various elementary particles such as muons and positrons. High-accuracy, non-relativistic, quantum chemical calculations of the energy levels and wavefunctions of three-particle systems are calculated using a fast and efficient series solution method in a triple orthogonal Laguerre basis [1]. The method is adapted to calculate, in a single variational calculation, the critical mass or charge for bound state stability [2], and a Hartree-Fock implementation using a Laguerre basis [3]. The correlated motion of particles is quantified using radial and angular densities. The effects of nuclear motion [4], the atom-molecule transition, and high-accuracy benchmark electron correlation data [5], will be presented. Exploring the correlated motion of electrons at low nuclear charge just prior to electron-detachment and attempting to capture this behaviour in future theoretical method developments, such as correlation functionals [6], is an important step forward in ensuring new methods can address increasingly exotic and complex systems. 1. H. Cox and A.L. Baskerville, Adv. Quantum Chem., 2018, 77, 201. 2. A.W. King, L.C. Rhodes, C.A. Readman and H. Cox, Phys. Rev. A, 2015, 91, 042512. 3. A.W. King, A.L. Baskerville and H. Cox, Phil. Trans. R. Soc. A, 2018, 376, 20170153. 4. A.L. Baskerville, A.W. King and H. Cox, Phys. Rev. A, 2016, 94, 042512. 5. A.L. Baskerville, A.W. King and H. Cox, R. Soc. Open Sci., 2019, 6, 181357. 6. A.L. Baskerville, M. Targema and H. Cox, R. Soc. Open Sci., 2022, 9, 211333.
Please contact Elena Besley <pczenb@exmail.nottingham.ac.uk>

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