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physics.comp-ph2017
Application of Van Der Waals Density Functionals to Two Dimensional Systems Based on a Mixed Basis Approach
Chung-Yuan Ren, Yia-Chung Chang, Chen-Shiung Hsue
A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays a…
physics.comp-ph2014★ 6 cited
A Mixed Basis Density Functional Approach for Low Dimensional Systems with B-splines
Chung-Yuan Ren, Chen-Shiung Hsue, Yia-Chung Chang
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multip…