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Hybrid functional pseudopotentials (2018)

Jing Yang, Liang Z. Tan, and Andrew M. Rappe

American Physical Society (APS)

In: Physical Review B

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Publication Date: 2018-02-17

Description: Author(s): Jing Yang, Liang Z. Tan, and Andrew M. Rappe The consistency between the exchange-correlation functional used in pseudopotential construction and in the actual density functional theory calculation is essential for the accurate prediction of fundamental properties of materials. However, routine hybrid density functional calculations at present... [Phys. Rev. B 97, 085130] Published Fri Feb 16, 2018

Keywords: Electronic structure and strongly correlated systems

Print ISSN: 1098-0121

Electronic ISSN: 1095-3795

Topics: Physics

Published by American Physical Society (APS)

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