Role of electron localization in density functionals
نویسندگان
چکیده
منابع مشابه
Finding electron affinities with approximate density functionals
There has been a long discussion about the reliability of approximate density functionals for atomic anions. It is well known that the extra electron produces a strong self-interaction error, so strong that the extra electron is unbound. Despite this, electron affinities have been calculated using finite basis sets and very good results have been reported by Schaefer and others. We recently sug...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2014
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.90.241107