Open AccessSimulating electronic excitation and dynamics with real-time propagation approach to TDDFT within plane-wave pseudopotential formulation
Author(s) -
Christopher Shepard,
Ruiyi Zhou,
Dillon C. Yost,
Yi Yao,
Yosuke Kanai
Publication year - 2021
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0057587
Subject(s) - time dependent density functional theory , pseudopotential , rotation formalisms in three dimensions , excitation , plane wave , statistical physics , computer science , density functional theory , physics , computational physics , mathematics , quantum mechanics , geometry
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