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Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy
by
Park, Woojin
,
AlÃ
as-
RodrÃguez
,
Marc
,
Cho, Daeheum
,
Lee, Seunghoon
,
Huix-Rotllant, Miquel
,
Choi, Cheol Ho
Published in
Journal of Chemical Theory and Computation
(2022)
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Computer Science Applications
Physical and Theoretical Chemistry
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