Open AccessAccurate X-ray Absorption Spectra near L- and M-Edges from Relativistic Four-Component Damped Response Time-Dependent Density Functional Theory
Author(s) -
Lukas Konecny,
Jan Vı́cha,
Stanislav Komorovský,
Kenneth Ruud,
Michal Repiský
Publication year - 2021
Publication title -
inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 233
eISSN - 1520-510X
pISSN - 0020-1669
DOI - 10.1021/acs.inorgchem.1c02412
Subject(s) - time dependent density functional theory , chemistry , density functional theory , spectral line , relativistic quantum chemistry , absorption spectroscopy , hamiltonian (control theory) , atomic physics , atomic orbital , physics , quantum mechanics , electron , computational chemistry , mathematical optimization , mathematics
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