[ASAP] Eliminating Artificial Boundary Conditions in Time-Dependent Density Functional Theory Using Fourier Contour Deformation

Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.2c01013

Source: Journal of Chemical Theory and Computation - February 14, 2023 Category: Chemistry Authors: Jason Kaye, Alex Barnett, Leslie Greengard, Umberto De Giovannini, and Angel Rubio Source Type: research