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Basis set convergence of Wilson basis functions for electronic structure

Brown, J; Whitfield, JD

Whitfield, JD (reprint author), Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA.

JOURNAL OF CHEMICAL PHYSICS, 2019; 151 (6):

Abstract

There are many ways to numerically represent chemical systems in order to compute their electronic structure. Basis functions may be localized in real......

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