Self-consistent determination of the fictitious temperature in thermally-assisted-occupation density functional theory

Journal
Rsc Advances
Journal Volume
7
Journal Issue
80
Pages
50496-50507
Date Issued
2017
Author(s)
Lin, Chih-Ying
Hui, Kerwin
Chung, Jui-Hui
DOI
URI
Abstract
We propose a self-consistent scheme for the determination of the fictitious temperature in thermally-assisted-occupation density functional theory (TAO-DFT) [J.-D. Chai,J. Chem. Phys., 2012,136, 154104].
Type
journal article

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