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Poster Session

Poster Session II

4:00 pm – 6:00 pm, Wednesday June 18 Session H00 Oregon Convention Center, Exhibit Hall E
Topics:

Towards low-scaling algorithms for quantum scattering calculations

Poster 13
Presenter: Md Muktadir Rahman (University of Nevada, Reno)
Authors: Hubert Jozwiak (Nicolaus Copernicus University in Toruń), Timur Tscherbul (University of Nevada, Reno)

The computational complexity of current algorithms for solving coupled-channel differential equations of quantum scattering theory scales cubically with the number of scattering channels, rendering rigorous calculations on heavy and/or large molecule collisions unfeasible. Here, we report initial steps toward the implementation of a variation-iteration method introduced by Lowell D. Thomas [1], which enables the determination of a single column of the scattering matrix with a more favorable scaling than traditional propagators. 

 

[1] L. D. Thomas, J. Chem. Phys. 70, 2979 (1979).

Funding acknowledgement

This work was supported by the NSF CAREER award No. 2045681.

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