Electron correlation in van der Waals interactions

Computational and Applied Mathematics Colloquium

Meeting Details

For more information about this meeting, contact Kendra Stauffer, Ludmil Zikatanov, Jinchao Xu, Wenrui Hao.

Speaker: Ridgway Scott, University of Chicago

Abstract: We examine a technique of Slater and Kirkwood which provides an exact resolution of the asymptotic behavior of the van der Waals attraction between two hydrogens atoms. We modify their technique to make the problem more tractable analytically and more easily solvable by numerical methods. Moreover, we prove rigorously that this approach provides an exact solution for the asymptotic electron correlation. We provide visual representations of the asymptotic electron correlation (entanglement) based on the use of Laguerre approximations. We also describe a computational approach using the Feshbach-Schur perturbation and tensor-contraction techniques that make a standard finite difference approach tractable.

Room Reservation Information

Room Number: 114 McAllister

Date: 09/18/2017

Time: 2:30pm - 3:30pm