Computational Benchmarking for Ultrafast Electron Dynamics: Wave Function Methods vs Density Functional Theory
نویسندگان
چکیده
منابع مشابه
Ultrafast electron dynamics in the charge density wave material TbTe3
Gaining insights into the mechanisms of how order and broken symmetry emerges from many-particle interactions is a major challenge in solid state physics. Most experimental techniques—such as angle-resolved photoemission spectroscopy (ARPES)—probe the single-particle excitation spectrum and extract information about the ordering mechanism and collective effects, often indirectly through theory....
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2015
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.5b00167