Machine-learning Kohn-Sham potential from dynamics in time-dependent Kohn-Sham systems

Yang, J; Whitfield, J

Whitfield, J (通讯作者),Dartmouth Coll, Dept Phys & Astron, Hanover, NH 03755 USA.

MACHINE LEARNING-SCIENCE AND TECHNOLOGY, 2023; 4 (3):

Abstract

The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calc......

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