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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 1
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Research Articles

From Lippmann-Schwinger formulations to a general formula for absolute asymptotic scattering phase functions and shifts: a unified framework for potentials of any range

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Article: e1587024 | Received 19 Oct 2018, Accepted 14 Feb 2019, Published online: 05 Mar 2019
 

Abstract

Appropriately handling the Lippmann-Schwinger equation can bring substantial benefits in quantum scattering. Here, the advantages of a parametric equation for the system's normalised wavefunction, ψ, supplied with regular fref and irregular gref wavefunctions of a reference Hamiltonian for arbitrary Vref=UeffV subsystems are discussed to extend previous results [H. Piel and M. Chrysos, Mol. Phys., 116, 2364 (2018)] to any interaction-range for the effective Ueff and ‘excess’ V potentials. While the idea of using reference wavefunctions to solve scattering problems is not new [J. P. Burke, C. H. Greene, and J. L. Bohn, Phys. Rev. Lett. 81, 3355 (1998); B. P. Ruzic, C. H. Greene, and J. L. Bohn, Phys. Rev. A 87, 032706 (2013)], convincing evidence that a wide variety of problems can benefit from the careful choice of fref and gref and the demonstration of how their occurrence in a compact formula permits the absolute definition of asymptotic scattering phases are among our highlights. Various examples employing Coulomb-van-der-Waals interactions in helium, along with an insightful rephrasing of ideas originally introduced in quantum defect theory for ultracold alkali-alkali collisions are given, adding to the recognition of these works and further promoting the need for properly selected reference wavefunctions in scattering calculations.

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Acknowledgements

We wish to acknowledge thesis fellowship support from the French Ministry of Education to one of us (HP).

Disclosure statement

No potential conflict of interest was reported by the authors.

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