Publication Date:
2015-02-05
Description:
Author(s): Chen Li, Xiao Zheng, Aron J. Cohen, Paula Mori-Sánchez, and Weitao Yang Delocalization error is one of the most fundamental and dominant errors that plagues presently used density functional approximations. It is responsible for a large class of problems in the density functional theory calculations. For an effective and universal alleviation of the delocalization error... [Phys. Rev. Lett. 114, 053001] Published Wed Feb 04, 2015
Keywords:
Atomic, Molecular, and Optical Physics
Print ISSN:
0031-9007
Electronic ISSN:
1079-7114
Topics:
Physics
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